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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 9): o2691, 2012 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-22969583

RESUMO

The title mol-ecule, C(10)H(9)NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C-H⋯π inter-actions, forming layers in the bc plane.

2.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 6): o1870, 2012 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-22719632

RESUMO

In the thio-carbonohydrazide mol-ecule of the title compound, C(17)H(12)N(6)O(2)S·C(4)H(8)O, the terminal indolin-2-one ring systems make a dihedral angle of 20.13 (6)° with each other. Two intra-molecular N-H⋯O hydrogen bonds are present, each of which generates an S(6) ring. In the crystal, N-H⋯O hydrogen bonds lead to a mol-ecular chain running along the b axis. The tetra-hydro-furan solvent mol-ecule is disordered over two orientations in a 0.561 (11):0.439 (11) ratio.

3.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 7): o2107, 2012 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-22798784

RESUMO

In the Schiff base mol-ecule of the title compound, C(22)H(20)N(4)O(2)·C(3)H(7)NO·2H(2)O, the cyclo-hexane ring adopts a chair conformation with the two imine groups linked at the equatorial positions. The two indolin-2-one ring systems make a dihedral angle of 65.63 (5)°. In the crystal, the Schiff base mol-ecules are connected through bifurcated N-H⋯(O,N) hydrogen bonds, forming inversion dimers. The water molecules link the dimers and the dimethylformamide molecules via O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds. Together with C-H⋯π and π-π [centroid-centroid distance = 3.3889 (10) Å] inter-actions a three-dimensional supra-molecular structure is formed.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): m230, 2011 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-21522888

RESUMO

The Pd(II) ion in the title compound, [Pd(C(17)H(14)N(3)S(2))(2)]·2C(5)H(5)N, is located on an inversion center and is four-coordinated by two of the deprotonated N,S-bidentate Schiff base ligands in a square-planar geometry. The dihedral angle between the aromatic ring planes within the ligand is 71.12 (9)°. The indole NH groups are bonded to the pyridine solvent mol-ecules via an N-H⋯N inter-action. The crystal structure is consolidated by inter-molecular C-H⋯S inter-actions.

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): m927, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836911

RESUMO

In the title compound, [CdCl(2)(C(14)H(21)N(3)O(2))], the Schiff base ligand chelates the Cd(II) ion in an N,N,O-tridentate fashion. Two Cl atoms complete a distorted square-pyramidal coordination environment around the metal atom. In the crystal, adjacent mol-ecules are linked through C-H⋯π inter-actions into infinite chains along the a axis. The mol-ecules are further connected into a three-dimensional network via N-H⋯O, N-H⋯Cl and C-H⋯Cl inter-actions. The ethyl-ene group is disordered over two sets of sites in a 0.520 (10):0.480 (10) ratio.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): m928, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836912

RESUMO

In the title compound, [Mn(NCS)(2)(C(13)H(19)N(3)O)(H(2)O)], the Schiff base acts as an N,N',N"-tridentate ligand, forming two five-membered chelating rings with the Mn(II) atom. The distorted octa-hedral geometry around the metal atom is completed by two cis-positioned N-bound thio-cyanate ligands and one water mol-ecule. In the crystal, adjacent mol-ecules are linked through O-H⋯O, O-H⋯S and C-H⋯S hydrogen bonds into a three-dimensional supra-mol-ecular structure. An intra-molecular C-H⋯O hydrogen bond also occurs.

7.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): m929, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836913

RESUMO

The asymmetric unit of the title compound, [Pd(C(12)H(12)NO)(2)], consists of three crystallographically independent half-mol-ecules. Each Pd(II) atom lies on a center of inversion and is four-coordinated by two monoanionic forms of the amino-acryl-aldehyde in a square-planar geometry. In the crystal, adjacent mol-ecules are connected through C-H⋯π and C-H⋯O inter-actions into a three-dimensional polymeric structure.

8.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): m930, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836914

RESUMO

The asymmetric unit of the title compound, [Cu(NCS)(2)(C(11)H(17)N(3))], consists of two crystallographically independent mol-ecules. In each mol-ecule, the Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry wherein the basal plane is defined by the N,N',N"-tridentate Schiff base and one N-bound thio-cyanate ligand. The second N-donor thio-cyanate group, located at the apical site, completes the coordination environment. In the crystal, inter-molecular C-H⋯S and C-H⋯N hydrogen bonds link adjacent mol-ecules into infinite layers parallel to the ac plane. Intra-molecular C-H⋯N inter-actions are also observed.

9.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 7): m931, 2011 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-21836915

RESUMO

In the centrosymmetric dinuclear copper(II) title complex, [Cu(2)Br(2)(C(12)H(17)N(2)O)(2)]·H(2)O, each Cu(II) ion is five coordinated in a square-pyramidal geometry by the N,N',O-tridentate Schiff base, one Br atom and the bridging O atom of the centrosymmetrically related Schiff base. In the crystal, the water mol-ecules link the complex mol-ecules into infinite chains along the b axis via O-H⋯Br and C-H⋯O hydrogen bonds.

10.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 3): m298, 2011 Feb 02.
Artigo em Inglês | MEDLINE | ID: mdl-21522238

RESUMO

In the title compound, [CdCl(2)(C(6)H(14)N(2)O)(2)], the Cl and Cd(II) atoms are located on a twofold rotation axis and the Cd(II) atom is octa-hedrally coordinated by two N,N'-bidentate 2-(morpholin-4-yl)ethanamine ligands and two trans-located Cl atoms. In the crystal, adjacent mol-ecules are linked by N-H⋯Cl and C-H⋯O hydrogen bonds into a three-dimensional structure. An intra-molecular C-H⋯Cl hydrogen bond is also observed.

11.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 3): m334, 2011 Feb 12.
Artigo em Inglês | MEDLINE | ID: mdl-21522265

RESUMO

In the title compound, [CuCl(2)(C(13)H(19)N(3)O)]·H(2)O, the tridentate Schiff base ligand and the two Cl atoms complete a distorted square-pyramidal coordination geometry around the Cu(II) ion in which the three N atoms and one Cl atom are located in the basal plane and the other Cl atom is at the apical position. In the crystal, O-H⋯Cl hydrogen bonds link the complex mol-ecules and the uncoordinated water mol-ecules into infinite chains along the a axis. The chains are further connected into a three-dimensional network via C-H⋯O and C-H⋯Cl inter-actions.

12.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 3): m347, 2011 Feb 19.
Artigo em Inglês | MEDLINE | ID: mdl-21522276

RESUMO

The Cd(II) ion in the title compound, [CdBr(2)(C(13)H(19)N(3)O)], is five-coordinated by the N,N',N''-tridentate Schiff base ligand and two Br atoms in a distorted square-pyramidal geometry. In the crystal, inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds link adjacent mol-ecules into layers parallel to the ab plane. An intra-molecular C-H⋯Br inter-action is also observed.

13.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 3): m348, 2011 Feb 19.
Artigo em Inglês | MEDLINE | ID: mdl-21522277

RESUMO

In the title compound, [CdCl(2)(C(11)H(17)N(3))], the Schiff base acts as an N,N',N''-tridentate ligand towards the Cd(II) ion. Two Cl atoms complete a distorted square-pyramidal geometry around the metal atom. In the crystal, a C-H⋯Cl inter-action connects pairs of mol-ecules into centrosymetric dimers.

14.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 2): o459, 2011 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-21523120

RESUMO

The title compound, C(14)H(11)N(3)O(5), is essentially planar, with an r.m.s. deviation for the non-H atoms of 0.0832 (3) Å. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link adjacent mol-ecules into layers parallel to (101). These layers are further connected into a three-dimensional network via C-H⋯O inter-actions. In addition, a π-π inter-action occurs between the aromatic rings [centroid-centroid distance = 3.5425 (8) Å]. An intra-molecular O-H⋯N hydrogen bond is also observed.

15.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 4): m421, 2011 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-21753950

RESUMO

In the title compound, [Zn(C(6)H(14)N(2))(2)(H(2)O)(2)]Cl(2), the Zn(II) atom resides on a special position with site symmetry 2/m and is octa-hedrally coordinated by four N atoms from two trans 1,2-diamino-cyclo-hexane ligands and two water O atoms. In the crystal, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane.

16.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 4): m480, 2011 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-21753992

RESUMO

In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.

17.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 5): m628, 2011 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754337

RESUMO

In the title compound, [ZnI(2)(C(13)H(19)N(3)O)], the Zn(II) ion is five-coordinated in a distorted square-pyramidal geometry, in which the basal plane is defined by three N atoms from the Schiff base ligand and one iodide ion. A second iodide ligand, situated in the apical position, completes the coordination geometry. In the crystal structure, C-H⋯O hydrogen bonds link a pair of mol-ecules around an inversion centre into a dimer.

18.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): o2229-30, 2011 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-22058903

RESUMO

The crystal studied of the title compound, C(7)H(9)N(2)O(4) (+)·ClO(4) (-)·C(7)H(8)N(2)O(4)·H(2)O, was found to be a racemic twin with a 0.72 (18):0.28 (18) domain ratio. The hydrazidium group is close to planar, with an r.m.s deviation of 0.105 Å; the hydrazide group deviates more from planarity, with an r.m.s deviation of 0.174 Å. In the crystal, the hydrazidium cation, hydrazide mol-ecule, perchlorate anions and water mol-ecules are linked through O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network. In addition, the benzene rings of the hydrazidium and hydrazide units are connected via π-π inter-actions into infinite chains along the c axis; the centroid-centroid distances are 3.486 (3) and 3.559 (3) Å.

19.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1027, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090821

RESUMO

The asymmetric unit of the title compound, [ZnCl(2)(C(11)H(17)N(3))], contains two independent penta-coordinate Zn(II) complex mol-ecules. In each mol-ecule, the metal atom is coordinated by an N,N',N''-tridenate Schiff base and two Cl atoms in a distorted square-pyramidal geometry. The two mol-ecules differ little in their geometry, but more in their inter-molecular inter-actions. In the crystal, adjacent mol-ecules are connected via C-H⋯Cl inter-actions into a three-dimensional supra-molecular structure. The network is supplemented by π-π inter-actions formed between the aromatic rings of pairs of the symmetry-related mol-ecules [centroid-centroid distances = 3.6255 (10) and 3.7073 (10) Å]. The crystal lattice contains void spaces with a size of 52 Å(3).

20.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1091, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090867

RESUMO

In the trinuclear title compound, [Zn(3)Cl(6)(C(13)H(20)N(4))(2)]·2H(2)O, each terminal Zn(II) atom is coordinated by an N(3) donor set from the Schiff base ligands and two Cl atoms in a distorted square-pyramidal geometry. The central Zn(II) atom is tetra-hedrally coordinated by two piperazine N atoms from two Schiff base ligands and two Cl atoms. The piperazine rings adopt chair conformations. In the crystal structure, adjacent complex mol-ecules are linked into a three-dimensional network via N-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds. The structure includes two water mol-ecules, one of which is disordered over two positions with occupancies of 0.753 (15) and 0.247 (15).

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