RESUMO
In the mol-ecule of the title compound, C9H11N5O2, the oxime and hydrazide groups are situated in a cis-position in relation to the C-C bond linking the two functional groups. The CH3C(=NOH)C(O)NH fragment deviates from planarity because of a twist between the oxime and amide groups. In the crystal, mol-ecules are linked by O-Hâ¯O hydrogen bonds, forming zigzag chains in the [013] and [03] directions.
RESUMO
The title compound, C22H17NO2·C3H7NO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a di-methyl-formamide solution as a monosolvate, C22H17NO2·C3H7NO. The aromatic mol-ecule is non-planar with a dihedral angle between the mean planes of the aniline moiety and the methyl anthracene moiety of 81.36â (8)°. The torsion angle of the Car-yl-CH2-NH-Car-yl backbone is 175.9â (2)°. The crystal structure exhibits a three-dimensional supra-molecular network, resulting from hydrogen-bonding inter-actions between the carb-oxy-lic OH group and the solvent O atom as well as between the amine functionality and the O atom of the carb-oxy-lic group and additional C-Hâ¯π inter-actions. Hirshfeld surface analysis was performed to qu-antify the inter-molecular inter-actions.
RESUMO
The title compound represents the thallium(I) salt of a substituted 1,2,5-oxa-diazole, [Tl(C3H3N4O3)] n , with amino- and hydroxamate groups in the 4- and 3- positions of the oxa-diazole ring, respectively. In the crystal, the deprotonated hydroxamate group represents an inter-mediate between the keto/enol tautomers and forms a five-membered chelate ring with the thallium(I) cation. The coordination sphere of the cation is augmented to a distorted disphenoid by two monodentately binding O atoms from two adjacent anions, leading to the formation of zigzag chains extending parallel to the b axis. The cohesion within the chains is supported by π-π stacking [centroid-centroid distance = 3.746â (3)â Å] and inter-molecular N-Hâ¯N hydrogen bonds.
RESUMO
The title compound, C19H18N4O2, crystallizes with two independent mol-ecules in the asymmetric unit. The triazole ring is inclined to the benzene rings by 9.63â (13) and 87.37â (12)° in one mol-ecule, and by 4.46â (13) and 86.15â (11)° in the other. In the crystal, classical N-Hâ¯N hydrogen bonds, weak C-Hâ¯O hydrogen bonds and weak C-Hâ¯π inter-actions link the mol-ecules into a three-dimensional supra-molecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from Hâ¯H (51.4%), Hâ¯C/Câ¯H (26.7%), Hâ¯O/Oâ¯H (8.9%) and Hâ¯N/Nâ¯H (8%) inter-actions.
RESUMO
The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2] n . The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water mol-ecules in a distorted octa-hedral fashion. In the crystal, the fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O-Hâ¯O, N-Hâ¯O and C-Hâ¯O hydrogen bonds, forming a three-dimensional supra-molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from Hâ¯O/Oâ¯H (35.9%), Hâ¯H (31.7%) and Câ¯C (10.4%) inter-actions.
RESUMO
In the title biphenyl derivative, C12H9N3O4, the dihedral angle between the benzene rings is 52.84â (10)°. The nitro group attached to the benzene ring is inclined to the ring by 4.03â (2)°, while the nitro group attached to the amino-substituted benzene ring is inclined to the ring by 8.84â (2)°. In the crystal, mol-ecules are linked by two pairs of N-Hâ¯O hydrogen bonds, forming chains propagating along [101]. Within the chains, these N-Hâ¯O hydrogen bonds result in the formation of R22(20) and R22(14) ring motifs. The latter ring motif is reinforced by a pair of C-Hâ¯O hydrogen bonds, enclosing R21(6) ring motifs. The chains are linked by a second C-Hâ¯O hydrogen bond, forming a three-dimensional supra-molecular structure.
RESUMO
The essential part (including all the non-hydrogen atoms except two methyl carbons) of the mol-ecule of the title compound, C21H26N4O5, lies on a mirror plane, which bis-ects the t-butyl groups. The conformation of the C=N bond of this Schiff base compound is E, and there is an intra-molecular N-Hâ¯O hydrogen bond present, forming an S(6) ring motif. In the crystal, mol-ecules are linked via O-Hâ¯O hydrogen bonds, forming zigzag chains propagating along the a-axis direction. There are no other significant inter-molecular contacts present.
RESUMO
In the title compound, C19H15N3O3, which crystallizes as the phenol-imine tautomer, the dihedral angle between the aromatic rings bridged by the NH unit is 47.16â (16)°. The dihedral angle between the rings bridged by the imine unit is 6.24â (15)°; this near coplanarity is reinforced by an intra-molecular O-Hâ¯N hydrogen bond, which generates an S(6) ring. In the crystal, N-Hâ¯O hydrogen bonds generate [201] C(13) chains. The chains are reinforced and cross-linked by C-Hâ¯O inter-actions to generate (001) sheets.
RESUMO
The centrosymmetric binuclear complex, [Cu2(C2H2N2O4)(C10H8N2)2(C2H6OS)2](ClO4)2, contains two copper(II) ions, connected through an N-deprotonated oxalodi-hydroxamic acid dianion, two terminal 2,2'-bi-pyridine ligands, and two apically coordinating dimethylsulfoxide mol-ecules. Two non-coordinating perchlorate anions assure electrical neutrality. The copper(II) ions in the complex dication [Cu2(C10H8N2)2(µ-C2H2N2O4)(C2H6SO)2](2+) are in an O2N3 square-pyramidal donor environment, the Cu-Cu separation being 5.2949â (4)â Å. Two hydroxamate groups in the deprotonated oxalodi-hydroxamic acid are located trans to one each other. In the crystal, O-Hâ¯O and C-Hâ¯O hydrogen bonds link the complex cations to the perchlorate anions. Further C-Hâ¯O hydrogen bonds combine with π-π contacts with a centroid-to-centroid separation of 3.6371â (12)â Å to stack the mol-ecules along the a-axis direction.
RESUMO
The porphyrin core of the title centrosymmetric compound, C44H26N8O8·2C6H5NO2, is approximately planar, the maximum deviation being 0.069â (3)â Å. The planes of the benzene rings of the nitro-phenyl substituents are almost perpendicular to the porphyrin mean plane, making dihedral angles of 73.89â (9) and 89.24â (9)°. The two pyrrole ring H atoms are equally disordered over the four pyrrole ring N atoms. In the crystal, weak C-Hâ¯O and C-Hâ¯N hydrogen bonds link the porphyrin mol-ecules into a three-dimensional supra-molecular network. The nitro-benzene solvent mol-ecules are linked by weak C-Hâ¯O hydrogen bonds into supra-molecular chains propagating along the a-axis direction.
RESUMO
In title compound, [PtCl2(C15H21N3O2)2], the Pt(II) cation, located on an inversion center, is coordinated by two Cl(-) anions and two 3-(4-meth-oxy-phen-yl)-2-methyl-5-(piperidin-1-yl)-2,3-di-hydro-1,2,4-oxa-diazole ligands in a distorted Cl2N2 square-planar geometry. The di-hydro-oxa-diazole and piperidine rings display envelope (with the non-coordinating N atom as the flap atom) and chair conformations, respectively. In the crystal, weak C-Hâ¯Cl hydrogen bonds link the mol-ecules into supra-molecular chains running along the b axis. The piperidine ring is disordered over two positions with the occupancy ratio of 0.528â (4):0.472â (4).
RESUMO
In the title 1:1 co-crystal, [PtCl2(C11H14ClN3O)2]·C7H5ClO, the coordination polyhedron of the Pt(II) atom is slightly distorted square-planar with the chloride and 2,3-di-hydro-1,2,4-oxa-diazole ligands mutually trans, as the Pt atom lies on an inversion center. The 4-chloro-benzaldehyde mol-ecules are statistically disordered about an inversion centre with equal occupancies for the two positions. The Pt(II) complex forms a three-dimensional structure through C-Hâ¯Cl and weaker C-Hâ¯O inter-actions with the 4-chloro-benzaldehyde mol-ecule.
RESUMO
In the title compound, [CuK(2)(C(3)N(2)O(3))(2)(H(2)O)(3)](n), the Cu(2+) atom is in a distorted square-pyramidal coordination geometry. Two N atoms belonging to the oxime groups and two O atoms belonging to the carboxyl-ate groups of two trans-disposed doubly deprotonated residues of 2-cyano-2-(hy-droxy-imino)-acetic acid make up the basal plane and the apical position is occupied by the water mol-ecule. The neighboring Cu-containing moieties are linked into a three-dimensional framework by K-O and K-N contacts formed by two potassium cations with the carboxyl-ate and the oxime O atoms and the nitrile N atoms of the ligand. The environments of the K(+) cations are complemented to octa- and nona-coordinated, by K-O contacts with H(2)O mol-ecules. The crystal structure features O-Hâ¯O hydrogen bonds.
RESUMO
There are two crystallographically independent complex mol-ecules with very similar geometries in the unit cell of the title compound, [Mn(C(6)H(4)NO(2))(2)(H(2)O)(2)]·0.5C(3)H(7)NO. The central ion is situated in a distorted octa-hedral environment of two N- and four O-donor atoms from two pyridine-2-carboxyl-ate ligands and two cis-disposed water mol-ecules. The carboxyl-ate ligands are coordinated in a chelate fashion with the formation of two five-membered rings. In the crystal, the complex mol-ecules are connected by O-Hâ¯O hydrogen bonds between the coordinated water mol-ecules and the uncoordinated carboxyl-ate O atoms, thus forming hydrogen-bonded walls disposed perpendicularly to the bc plane.
RESUMO
In the title compound, [Co(C(6)H(4)NO(2))(3)], the Co(III) ion lies on a threefold rotation axis and is in a distorted octa-hedral environment defined by three N and three O donor atoms from three fac-disposed pyridine-2-carboxyl-ate ligands. The ligands are coordinated in a chelate fashion, forming three five-membered rings. In the crystal, translationally related complex molecules are organized into columns along [001] via C-Hâ¯O hydrogen bonds.
RESUMO
In the neutral, mononuclear title complex, [Ni(C(4)H(6)NO(3))(2)(H(2)O)(2)], the Ni atom lies on a crystallographic inversion centre within a distorted octa-hedral N(2)O(4) environment. Two trans-disposed anions of 3-hydroxy-imino-butanoic acid occupy four equatorial sites, coordinated by the deprotonated carboxyl-ate and protonated oxime groups and forming six-membered chelate rings, while the two axial positions are occupied by the water O atoms. The O atom of the oxime group forms an intra-molecular hydrogen bond with the coordinated carboxyl-ate O atom. The complex mol-ecules are linked into chains along b by hydrogen bonds between the water O atom and the carboxyl-ate O of a neighbouring mol-ecule. The chains are linked by further hydrogen bonds into a layer structure.
RESUMO
The title centrosymmetric mononuclear complex, [Ni(C(4)H(6)NO(3))(2)(H(2)O)(2)], is a polymorph of the previously reported complex [Dudarenko et al. (2010 â¶). Acta Cryst. E66, m277-m278]. The Ni(II) atom, lying on an inversion center, is six-coordinated by two carboxyl-ate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxy-imino-butanoate ligands and two axial water mol-ecules in a distorted octa-hedral geometry. The hydr-oxy group forms an intra-molecular hydrogen bond with the coordinated carboxyl-ate O atom. The complex mol-ecules are linked in stacks along [010] by a hydrogen bond between the water O atom and the carboxyl-ate O atom of a neighboring mol-ecule. The stacks are further linked by O-Hâ¯O hydrogen bonds into a layer parallel to (001).
RESUMO
The title compound, [Co(2)(O(2))(CH(3)CN)(2)(C(2)H(8)N(2))(4)](ClO(4))(4), consists of centrosymmetric binuclear cations and perchlorate anions. Two Co(III) atoms, which have a slightly distorted octa-hedral coordination, are connected through a peroxido bridge; the O-O distance is 1.476â (3)â Å. Both acetonitrile ligands are situated in a trans position with respect to the O-O bridge. In the crystal, the complex cations are connected by N-Hâ¯O hydrogen bonds between ethyl-endiamine NH groups and O atoms from the perchlorate anions and peroxide O atoms.
RESUMO
In the title compound, [CaCu(2)(C(9)H(13)N(4)O(4))(2)(CH(3)OH)(2)](n), the Ca(II) atom lies on an inversion center and is situated in a moderately distorted octa-hedral environment. The Cu(II) atom is in a distorted square-pyramidal geometry, defined by four N atoms belonging to the amide and oxime groups of the triply deprotonated residue of N,N'-bis-(2-hydroxy-imino-propano-yl)propane-1,3-diamine (H(4)pap) and one oxime O atom from a neighboring Hpap ligand at the apical site, forming a dimeric [Cu(2)(Hpap)(2)](2-) unit. Each dimeric unit connects four Ca atoms and each Ca atom links four [Cu(2)(Hpap)(2)](2-) units through Ca-O(amide) bonds, leading to a three-dimensional framework. The crystal structure involves intra- and inter-molecular O-Hâ¯O hydrogen bonds.
RESUMO
The cation of the title salt, C(7)H(16)N(3)O(3) (+)·C(3)H(4)NO(3) (-), the oxime group is trans with respect to the amide-carbonyl group. The components of the structure are united into a three-dimensional network by an extensive system of O-Hâ¯O and N-Hâ¯O hydrogen bonds.