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1.
Medicine (Baltimore) ; 101(40): e30407, 2022 Oct 07.
Article in English | MEDLINE | ID: mdl-36221408

ABSTRACT

Coronavirus disease 2019 (COVID-19) is a rapidly spreading deadly respiratory disease that emerged in the city of Wuhan in December 2019. As a result of its rapid and widespread transmission, the WHO declared a pandemic on March 11, 2020 and studies evaluating mortality and prognosis in COVID-19 gained importance. The aim of this study was to determine the factors affecting the survival of COVID-19 patients followed up in a tertiary intensive care unit (ICU) and undergoing chest computed tomography (CT) scoring. This retrospective cross-sectional study was conducted with the approval of Usak University Medical Faculty Ethics Committee between July and September 2020. It included 187 symptomatic patients (67 females, 120 males) with suspected COVID-19 who underwent chest CT scans in the ICU. Demographics, acute physiology and chronic health evaluation (APACHE II), chest CT scores, COVID-19 real-time polymerase chain reaction (RT PCR) results, and laboratory parameters were recorded. SPSS 15.0 for Windows was used for the data analysis. The ages of the patients ranged from 18 to 94 and the mean age was 68.0 ±â€…13.9 years. The COVID-19 RT PCR test was positive in 86 (46.0%) patients and 110 patients (58.8%) died during the follow-up. ICU stay (P = .024) and total invasive mechanical ventilation time (P < .001) were longer and blood urea nitrogen (BUN) was higher (P < .001) in the nonsurvivors. Patients with an APACHE II score of 23 and above had a 1.12-fold higher mortality rate (95% CI 0.061-0.263). There was no significant difference in total chest CT score between the survivors and nonsurvivors (P = .210). Chest CT score was not significantly associated with mortality in COVID-19 patients. Our idea that COVID-19 will cause greater mortality in patients with severe chest CT findings has changed. More studies on COVID-19 are needed to reveal the markers that affect prognosis and mortality in this period when new variants are affecting the world.


Subject(s)
COVID-19 , Aged , Aged, 80 and over , COVID-19/diagnostic imaging , Critical Care , Cross-Sectional Studies , Female , Humans , Intensive Care Units , Male , Middle Aged , Retrospective Studies , Tomography, X-Ray Computed
2.
SN Compr Clin Med ; 2(11): 2376-2380, 2020.
Article in English | MEDLINE | ID: mdl-32954212

ABSTRACT

Here, we discussed a 22-year-old pregnant woman (gestational age: 32 weeks) infected with COVID-19 who presented with fever (39.1 °C) and respiratory symptoms. Thoracic computed tomography could not be obtained due to pregnancy. PCR testing was positive. The patient was treated with supportive care and anti-viral and anti-inflammatory agents; however, general health status deteriorated and patient was admitted to intensive care unit on day 3. After admission to COVID-19 ICU, clinical picture was rapidly worsened with development of respiratory failure and acute respiratory distress syndrome (ARDS). Thus, "extracorporeal cytokine hemoadsorption" (CytoSorb®, Cytosorbents Corporation, Monmouth Junction, NJ, USA) was planned and performed with regular intervals in order to remove inflammatory cytokines from circulation and to relieve systemic inflammatory response. The fever response and CRP elevation were controlled by hemoadsorption and cytokine filter performed in alternate days. On day 7 of ICU admission, it was decided to terminate pregnancy due to worsening hypoxemia and a healthy, premature infant was born. On day 2 after cesarean section, the patient was intubated and mechanical ventilation support was initiated. However, the patient showed an increasingly complicated clinical course and died on day 22 after ICU admission. It is seen that COVID-19 positivity carries an important risk for both mother and fetus, particularly in those at advanced stages of gestation, by physiological changes in the mother during pregnancy. We believe that, in the treatment of COVID-19 and its complications during pregnancy, cytokine filter treatment can give time to patient for hemodynamic and metabolic stabilization.

3.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 1): 45-50, 2018 Jan 01.
Article in English | MEDLINE | ID: mdl-29416889

ABSTRACT

In the crystal of the title complex, [Cu(C7H6NO4S)2(C6H6N2O)2(H2O)], the CuII cation and the O atom of the coordinated water mol-ecule reside on a twofold rotation axis. The CuII ion is coordinated by two carboxyl-ate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB) anions and by two N atoms of the two symmetry-related nicotinamide (NA) mol-ecules at distances of 1.978 (2) and 2.025 (3) Å, respectively, forming a slightly distorted square-planar arrangement. The distorted square-pyramidal coordination environment is completed by the water O atom in the axial position at a distance of 2.147 (4) Å. In the crystal, the mol-ecules are linked via O-H⋯O and N-H⋯O hydrogen bonds with R22(8) and R22(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (42.2%), H⋯H (25.7%) and H⋯C/C⋯H (20.0%) inter-actions.

4.
Article in English | MEDLINE | ID: mdl-25698438

ABSTRACT

A polymeric potassium complex of p-nitrophenol was synthesized and characterized by analytical and spectroscopic techniques. Molecular structure of the complex was determined by single crystal X-ray diffraction study. X-ray structural data show that crystals contain polymeric K(+) complex of p-nitrophenol. Asymmetric unit consists of one p-nitrophenolate, one K(+) ion and one water molecule. All bond lengths and angles in the phenyl rings have normal Csp2-Csp2 values and are in the expected ranges. The p-nitrophenolate is close to planar with small distortions by some atoms. Each potassium ion in the polymeric structure is identical and eight-coordinate, bonded to four nitro, two phenolate oxygen atoms from five p-nitrophenolate ligands and two oxygen atoms from two water molecules. Electronic, electrochemical, photoluminescence and thermal properties of the complex were also investigated.


Subject(s)
Coordination Complexes/chemistry , Nitrophenols/chemistry , Polymers/chemistry , Potassium/chemistry , Crystallography, X-Ray , Electrochemical Techniques , Luminescence , Models, Molecular
5.
J Enzyme Inhib Med Chem ; 30(2): 195-203, 2015 Apr.
Article in English | MEDLINE | ID: mdl-24758349

ABSTRACT

A novel proton transfer compound (HClABT)(+)(HDPC.H2DPC)(-) (1) and its Fe(III), Co(II), Ni(II) and two different Cu(II) complexes (2-6) have been prepared and characterized by spectroscopic techniques. Additionally, single crystal X-ray diffraction techniques were applied to all complexes. All compounds, including acetazolamide (AAZ) as the control compound, were also evaluated for their in vitro inhibition effects on human hCA I and hCA II for their hydratase and esterase activities. Although there is no inhibition for hydratase activities, all compounds have inhibited the esterase activities of hCA I and II. The comparison of the inhibition studies of 1-6 to parent compounds, ClABT and H2DPC, indicates that 1-6 have superior inhibitory effects. The inhibition effects of 2-6 are also compared to the inhibitory properties of the simple metal complexes of ClABT and H2DPC, revealing an improved transfection profile. Data have been analysed by using a one-way analysis of variance for multiple comparisons.


Subject(s)
Carbonic Anhydrase II/antagonists & inhibitors , Carbonic Anhydrase I/antagonists & inhibitors , Carbonic Anhydrase Inhibitors/chemical synthesis , Coordination Complexes/chemical synthesis , Protons , Pyridines/chemistry , Carbonic Anhydrase I/isolation & purification , Carbonic Anhydrase II/isolation & purification , Carbonic Anhydrase Inhibitors/chemistry , Carbonic Anhydrase Inhibitors/pharmacology , Coordination Complexes/chemistry , Coordination Complexes/pharmacology , Erythrocytes/enzymology , Humans , Isoenzymes , Molecular Structure , Picolinic Acids , Spectroscopy, Fourier Transform Infrared
6.
Eur J Med Chem ; 87: 662-76, 2014 Nov 24.
Article in English | MEDLINE | ID: mdl-25305333

ABSTRACT

A number of novel ansa-spiro-ansa (asa) cyclotetraphosphazenes (1a-5b) was prepared in the range of 63-90 % yields. The structures of the compounds were verified by MS, FTIR, (1)H, (13)C{(1)H} and (31)P{(1)H} NMR, heteronuclear single quantum coherence (HSQC), and heteronuclear multiple-bond correlation (HMBC) techniques. The crystal structures of 1b, 2c and 5a were determined by X-ray crystallography. The compound 2c was analyzed by the changes in the (31)P{(1)H}NMR spectrum in addition of the chiral solvating agent; (R)-(+)-2,2,2-trifluoro-1-(9'-anthryl)-ethanol (CSA), to investigate its stereogenic properties. The result supports that compound 2c was found to be in the racemic mixture. Cyclic voltammetric and chronoamperometric data of the mono-ferrocenyl-spiro-asa-cyclotetraphosphazenes exhibited electrochemically reversible one-electron oxidation of Fe redox centres. The mono-ferrocenyl-spiro-asa compounds (3a-5b) were evaluated for antituberculosis activity against reference strain Mycobacterium tuberculosis H37Rv and M. tuberculosis clinical strain, which is resistant to rifampicin and isoniazid. These compounds appear not to be good candidates for being antituberculosis agents to clinical strains. All of the compounds were screened for antibacterial activities against G(+) and G(-) bacteria, and for antifungal activities against yeast strains. They seem to be more active against Gram positive bacteria than Gram negative. The interactions of the phosphazenes with plasmid DNA and the evaluations for cytotoxic activity against MCF-7 breast cancer cell lines were investigated. The compounds 1b, 2b, 3a and 4a were found to be more effective than Cisplatin against MCF-7 breast cancer cell lines at lower concentrations.


Subject(s)
Anti-Infective Agents , Antineoplastic Agents , Antitubercular Agents , DNA/drug effects , Nitrogen Compounds , Phosphorus Compounds , Anti-Infective Agents/chemical synthesis , Anti-Infective Agents/chemistry , Anti-Infective Agents/pharmacology , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/chemistry , Antineoplastic Agents/pharmacology , Antitubercular Agents/chemical synthesis , Antitubercular Agents/chemistry , Antitubercular Agents/pharmacology , Crystallography, X-Ray , Humans , MCF-7 Cells , Magnetic Resonance Spectroscopy , Microbial Sensitivity Tests , Models, Molecular , Molecular Structure , Nitrogen Compounds/chemical synthesis , Nitrogen Compounds/chemistry , Nitrogen Compounds/pharmacology , Phosphorus Compounds/chemical synthesis , Phosphorus Compounds/chemistry , Phosphorus Compounds/pharmacology , Spectroscopy, Fourier Transform Infrared
7.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 3): o238-9, 2014 Mar 01.
Article in English | MEDLINE | ID: mdl-24764960

ABSTRACT

The whole mol-ecule of the title compound, C20H19NO4S2, is generated by twofold rotational symmetry. The N atom is located on the twofold rotation axis and has a trigonal-planar geometry. It is bonded by two S atoms of two symmetry-related 4-methyl-phenyl-sulfonyl groups and by the C atom of the phenyl ring, which is bis-ected by the twofold rotation axis. The benzene and phenyl rings are oriented at a dihedral angle of 51.48 (5)° while the pendant benzene rings are inclined to one another by 87.76 (9)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

8.
Dalton Trans ; 43(16): 6148-64, 2014 Apr 28.
Article in English | MEDLINE | ID: mdl-24589530

ABSTRACT

Novel multifunctional hydroxyphenylimino ligands (L1, L2 and L3) were synthesized by the condensation of 2-aminophenol, 3-aminophenol and 4-aminophenol with usnic acid, a lichen metabolite. The synthesized ligands and their Cu(II), Co(II), Ni(II) and Mn(II) complexes were characterized using FT-IR, UV-Vis, (1)H-NMR, (13)C-NMR, 1D- and 2D NMR (DEPT, COSY, HMQC and HMBC), LC-MS and TGA. In addition, the metal complexes of the novel ligands were prepared with high yields using Cu(II), Co(II), Ni(II) and Mn(II) salts and were characterized using the FT-MIR/FAR, UV-Vis, elemental analysis, ICP-OES and TG/DTA techniques. The ligands and their complexes were tested against ten important pathogen microorganisms using the disc diffusion method and the metal complexes of the ligands were more active against all of the microorganisms tested with a broad spectrum than the ligands exhibiting 11­32 mm inhibition zones. On the other hand, a broad spectrum of the strongest antimicrobial activity was determined for the Mn(II) and Cu(II) complexes of the hydroxyphenylimino ligand with usnic acid (L3). In addition, the antimutagenic activities of all of the ligands and their metal complexes were determined using the Ames-Salmonella and E. coli WP2 microbial assay systems and they showed varied and strong antimutagenic effects. In general, it has been found that the Co and Mn complexes of the ligands possess potent antimutagenic activity. In view of these results, it can be concluded that some metal complexes can be used as antimicrobial and anticancer agents.


Subject(s)
Anti-Infective Agents , Antimutagenic Agents , Benzofurans , Coordination Complexes , Metals, Heavy , Aminophenols/chemistry , Anti-Infective Agents/chemistry , Anti-Infective Agents/pharmacology , Antimutagenic Agents/chemistry , Antimutagenic Agents/pharmacology , Bacteria/drug effects , Bacteria/genetics , Benzofurans/chemistry , Benzofurans/pharmacology , Coordination Complexes/chemistry , Coordination Complexes/pharmacology , Ligands , Metals, Heavy/chemistry , Metals, Heavy/pharmacology , Mutagens/toxicity , Usnea , Yeasts/drug effects
9.
J Enzyme Inhib Med Chem ; 29(3): 353-61, 2014 Jun.
Article in English | MEDLINE | ID: mdl-23808804

ABSTRACT

A novel proton transfer compound (HABT)(+)(Hdipic)(-) (1) obtained from ABT and H2dipic and its metal complexes (2-5) have been prepared and characterized by spectroscopic techniques. Single crystal X-ray diffraction method has also been applied to 2 and 5. While complex 2 has a distorted octahedral conformation, 5 exhibits a distorted square pyramidal structure. The structures of 3 and 4 might be proposed as octahedral according to experimental data. All compounds were also evaluated for their in vitro inhibition effects on hCA I and II for their hydratase and esterase activities. Although there is no inhibition for hydratase activities, all compounds have inhibited the esterase activities of hCA I and II. The comparison of the inhibition studies of 1-5 to parent compounds indicates that 1-5 have superior inhibitory effects. The inhibition effects of 2-5 are also compared to inhibitory properties of the metal complexes of ABT and H2dipic, revealing an improved transfection profile.


Subject(s)
Benzothiazoles/chemistry , Carbonic Anhydrase II/chemistry , Carbonic Anhydrase I/chemistry , Carbonic Anhydrase Inhibitors/chemistry , Coordination Complexes/chemistry , Protons , Pyridines/chemistry , Carbonic Anhydrase I/isolation & purification , Carbonic Anhydrase II/isolation & purification , Carbonic Anhydrase Inhibitors/chemical synthesis , Coordination Complexes/chemical synthesis , Crystallography, X-Ray , Enzyme Assays , Erythrocytes/chemistry , Erythrocytes/enzymology , Humans , Hydrogen Bonding , Metals, Heavy/chemistry , Picolinic Acids , Salts/chemical synthesis , Salts/chemistry , Structure-Activity Relationship
10.
Article in English | MEDLINE | ID: mdl-24046681

ABSTRACT

In the title compound, C10H7ClN2O2S2, the mean plane of the thioxo-thia-zolidine ring [maximum deviation = 0.032 (2) Å] is inclined to the benzene ring by 12.25 (4)°. There is a strong intra-molecular O-H⋯N hydrogen bond present. In the crystal, mol-ecules are linked via pairs of C-H⋯Cl hydrogen bonds, forming inversion dimers.

11.
Inorg Chem ; 51(23): 12841-56, 2012 Dec 03.
Article in English | MEDLINE | ID: mdl-23163803

ABSTRACT

The reactions of octachlorocyclotetraphosphazene, N(4)P(4)Cl(8), with N(2)O(2) donor-type aminopodands (1a, 1b, 1g, and 1h) afforded two kinds of derivatives, namely, spiro-ansa-spiro (sas) (2a, 2b, 2g, and 2h) and ansa-spiro-ansa (asa) (3a and 3b) phosphazenes. The partly substituted sas phosphazenes (2a and 2b) reacted with excess pyrrolidine and morpholine in tetrahydrofuran to produce the tetrapyrrolidino (2c and 2d) and morpholino (2e and 2f) derivatives. The reactions of the asa phosphazenes (3a and 3b) with excess pyrrolidine and morpholine produced gem-2-trans-6-dichloropyrrolidinophosphazenes (3c and 3d) and -morpholinophosphazenes (3e and 3f). However, the fully substituted products were not obtained in these solvents. In addition, the expected fully substituted compound was not obtained from the reaction of 3a with excess pyrrolidine by standard or microwave-assisted methods. The reaction of the long-chain starting compound (1g) with N(4)P(4)Cl(8) gave sas (2g) and the interesting 2,6-ansa-spiro-bicyclo product (bicyclo-2,6-as; 4g), while the reaction of 1h with N(4)P(4)Cl(8) yielded only sas (2h). The structural investigations of the compounds were verified by elemental analyses, mass spectrometry, Fourier transform infrared, and DEPT, HSQC, HMBC, (1)H, (13)C, and (31)P NMR techniques. The crystal structures of 2b, 3a, 3b, 3e, and 4g were determined by X-ray crystallography. Compounds 2a-2h, 3a-3f, and 4g had two stereogenic P atoms. Compound 3b had one enantiomer according to the Flack parameter, and 3f was a racemic mixture, as shown by chiral high-performance liquid chromatography and chiral-solvating-agent, (R)-(+)-2,2,2-trifluoro-1-(9'-anthryl)ethanol, experiments. Furthermore, compounds 2a, 2c, and 2d exhibited weak antibacterial activity against (G+) bacterium, and 3c and 3d displayed moderate antifungal activity against Candida tropicalis. Gel electrophoresis data demonstrated that 2e, 3c, and 3e promoted the formation of DNA cleavage. The prevention of BamHI digestion by 2a-2f and 3a-3f, except 2b and 2e, disclosed binding with GG nucleotides in DNA.


Subject(s)
Anti-Bacterial Agents/pharmacology , Antifungal Agents/pharmacology , Candida tropicalis/drug effects , DNA/drug effects , Gram-Positive Bacteria/drug effects , Organophosphorus Compounds/pharmacology , Spiro Compounds/pharmacology , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Antifungal Agents/chemical synthesis , Antifungal Agents/chemistry , Crystallography, X-Ray , DNA Cleavage/drug effects , Magnetic Resonance Spectroscopy , Mass Spectrometry , Microbial Sensitivity Tests , Models, Molecular , Molecular Structure , Nitrogen/chemistry , Organophosphorus Compounds/chemical synthesis , Organophosphorus Compounds/chemistry , Phosphorus/chemistry , Spiro Compounds/chemical synthesis , Spiro Compounds/chemistry , Stereoisomerism , Structure-Activity Relationship
12.
Article in English | MEDLINE | ID: mdl-22104324

ABSTRACT

The Schiff base compounds (1 and 2) are synthesized by the condensation reactions of 2-furan-2-yl-methylamine with 2-hydroxy-3-methoxy- and 2-hydroxy-5-methoxy-benzaldehydes and reduced with NaBH(4) to give the new N/O-donor-type ligands (3 and 4). The monospirocyclotriphosphazenes containing 1,3,2-oxazaphosphorine rings (5 and 6) are prepared from the reactions of N(3)P(3)Cl(6) with 3 and 4, respectively. The reactions of 5 and 6 with excess pyrrolidine, morpholine, and 1,4-dioxa-8-azaspiro [4,5] decane (DASD) produce tetrapyrrolidino (5a and 6a), morpholino (5b and 6b), and 1,4-dioxa-8-azaspiro [4,5] deca (5c and 6c) spirocyclotriphosphazenes. The structural investigations of the compounds are examined by (1)H, (13)C, (31)P NMR, DEPT, HSQC, and HMBC techniques. The solid-state structures of 5, 5a, and 6 are determined using X-ray crystallography. The compounds 5a, 5b, 5c, 6a, 6b, and 6c are subjected to antimicrobial activity against six patojen bacteria and two yeast strains. In addition, interactions between these compounds and pBR322 plasmid DNA are presented by agarose gel electrophoresis.


Subject(s)
DNA/metabolism , Nitrogen Compounds/chemistry , Nitrogen Compounds/chemical synthesis , Nitrogen/chemistry , Organophosphorus Compounds/chemistry , Organophosphorus Compounds/chemical synthesis , Oxygen/chemistry , Anti-Bacterial Agents/pharmacology , Bacteria/drug effects , Crystallography, X-Ray , Electrophoresis, Agar Gel , Fungi/drug effects , Hydrogen Bonding , Magnetic Resonance Spectroscopy , Microbial Sensitivity Tests , Molecular Conformation , Nitrogen Compounds/pharmacology , Organophosphorus Compounds/pharmacology , Spectroscopy, Fourier Transform Infrared
13.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): o2490-1, 2011 Sep 01.
Article in English | MEDLINE | ID: mdl-22059041

ABSTRACT

The title benzimidazole mol-ecule, C(8)H(8)N(4)O(2)·2H(2)O, is planar with a maximum deviation of 0.079 (2) Š(for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the uncoordinated water mol-ecules, and the nitro and amine groups, respectively. In the crystal, N-H⋯O, O-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules to form a three-dimensional network. A π-π contact between the benzene rings, [centroid-centroid distance = 3.588 (1) Å] may further stabilize the crystal structure.

14.
Spectrochim Acta A Mol Biomol Spectrosc ; 79(5): 1573-83, 2011 Sep.
Article in English | MEDLINE | ID: mdl-21641858

ABSTRACT

New Schiff base derivatives were prepared by the condensation of 5-chloro and 5-bromo salicylaldehyde with bis(o-aminophenol)ethers. Five bis(o-nitrophenol)ether compounds were synthesized using some ditosylate, 1,3-dibromopropane and 1,4-dibromobuthane with o-nitrophenol. These compounds were reduced to bis(o-aminophenol)ethers. The products have been characterized by elemental analysis, FTIR, 1H, 13C NMR, HETCOR and HMBC spectroscopic techniques. The tautomerisms of all of the Schiff bases compounds were determined in DMSO, CHCl3, C2H5OH and C6H12 solvents and in both acidic and basic media using the UV-vis spectrophotometric method. The heat of formation (ΔHf), enthalpy (ΔH), entropy (ΔS), Gibbs free energy (ΔGf and ΔG), stable isomers, conformations and tautomers of the synthesized compounds are calculated using the MOPAC2009 (PM6) program.


Subject(s)
Aldehydes/chemistry , Aminophenols/chemistry , Models, Theoretical , Schiff Bases/chemical synthesis , Magnetic Resonance Spectroscopy , Models, Molecular , Molecular Structure , Spectrophotometry, Infrared , Spectrophotometry, Ultraviolet , Spectroscopy, Fourier Transform Infrared
15.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 5): m490-1, 2010 Apr 10.
Article in English | MEDLINE | ID: mdl-21578994

ABSTRACT

In the mononuclear title complex, [Mn(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Mn(II) ion is located on a crystallographic inversion center. The asymmetric unit contains one 4-methyl-benzoate anion, one nicotinamide (NA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Mn(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 9.01 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 42.44 (5)°. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and O-H⋯π and C-H⋯π inter-actions link the mol-ecules into a two-dimensional network parallel to (001).

16.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 3): m334-5, 2010 Feb 27.
Article in English | MEDLINE | ID: mdl-21580268

ABSTRACT

In the title centrosymmetric binuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], the Cu atoms [Cu⋯Cu = 2.6375 (6) Å] are bridged by four 4-methyl-benzoate (PMB) ligands. The four nearest O atoms around each Cu(II) ion form a distorted square-planar arrangement, and the distorted square-pyramidal coordination is completed by the pyridine N atom of the isonicotinamide (INA) ligand. Each Cu(II) ion is displaced by 0.2633 (1) Šfrom the plane of the four O atoms, with an average Cu-O distance of 1.974 (2) Å. The dihedral angles between carboxyl-ate groups and the adjacent benzene rings are 7.88 (19) and 9.68 (10)°, while the benzene rings are oriented at a dihedral angle of 85.90 (9)°. The pyridine ring is oriented at dihedral angles of 8.59 (7) and 83.89 (9)° with respect to the benzene rings. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the benzene rings and between the pyridine and benzene rings, [centroid-centroid distances = 3.563 (2) and 3.484 (2) Å, respectively] may further stabilize the crystal structure.

17.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 4): m485-6, 2010 Mar 31.
Article in English | MEDLINE | ID: mdl-21580564

ABSTRACT

In the centrosymmetric binuclear title complex, [Zn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)], the Zn atoms [Zn⋯Zn' = 2.9494 (3) Å] are bridged by four 4-methyl-benzoate (PMB) anions. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement, the octahedral coordin-ation being completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. Each Zn(II) ion is displaced by 0.3530 (1) Šfrom the plane of the four O atoms. The dihedral angles between carboxyl-ate groups and their adjacent benzene rings are 5.88 (10) and 11.89 (9)°, while the benzene rings are oriented at a dihedral angle of 75.19 (4)°. The pyridine ring is oriented at dihedral angles of 38.28 (4) and 49.17 (4)° with respect to the benzene rings. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between parallel benzene rings [centroid-centroid distance = 3.8388 (8) Å] and between parallel pyridine rings [centroid-centroid distance = 3.4855 (7) Å] may further stabilize the crystal structure.

18.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 7): m734-5, 2010 Jun 05.
Article in English | MEDLINE | ID: mdl-21587676

ABSTRACT

The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.

19.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 8): m891-2, 2010 Jul 07.
Article in English | MEDLINE | ID: mdl-21588136

ABSTRACT

In the mononuclear title compound, [Ni(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 7.2 (1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An intra-molecular O-H⋯O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

20.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 8): m910-1, 2010 Jul 10.
Article in English | MEDLINE | ID: mdl-21588149

ABSTRACT

In the mononuclear title compound, [Co(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Co(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule. All ligands act in a monodentate mode. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 6.47 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An O-H⋯O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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