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Bis[2-(1H-benzotriazol-1-yl)acetonitrile-κN]dibromidocopper(II).

ABSTRACT: In the title complex, [CuBr(2)(C(8)H(6)N(4))(2)], the Cu(II) atom is located on an inversion centre and the asymmetric unit comprises one half-mol-ecule. The Cu atom is coordinated by two Br ions and two N atoms in approximately square-planar geometry. In the crystal structure, inter-molecular C-H⋯Br hydrogen bonds and π-π inter-actions between benzotriazole rings (centroid-centroid distance = 3.651 Å) generate a three-dimensional network.

SUBMITTER: Wang W

PROVIDER: S-EPMC2961923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

| S-EPMC3099944 | biostudies-literature

Bis[2-(1H-1,2,3-benzotriazol-1-yl)acetic acid-?N]dichloridozinc(II).

Project description:In the title complex, [ZnCl(2)(C(8)H(7)N(3)O(2))(2)], the Zn(II) atom is coordinated by two chloride ions and two N atoms in a distorted tetra-hedral coordination environment. In the crystal structure, mol-ecules are linked by inter-molecular C-H?O and O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2961613 | biostudies-literature

Bis{1-[(1H-benzotriazol-1-yl)meth-yl]-2-methyl-1H-imidazole-?N(3)}dichlorido-cobalt(II).

Project description:In the title mononuclear complex, [CoCl(2)(C(11)H(11)N(5))(2)], the Co(II) atom is four-coordinated by two ligand N atoms and two Cl atoms in a distorted tetra-hedral geometry. In the crystal, mol-ecules are stacked through ?-? inter-actions [centroid-centroid distances = 3.473?(2), 3.807?(3), 3.883?(2) and 3.676?(2)?Å], forming a three-dimensional supra-molecular network.

| S-EPMC3393205 | biostudies-literature

1,3-Bis[(1H-benzotriazol-1-yl)meth-yl]-2,3-dihydro-1H-benzimidazole.

Project description:In the title compound, C(21)H(18)N(8), the two (benzotriazol-1-yl)methyl groups are located in an anti position with respect to the benzimidazoline moiety. The dihedral angles between the benzotriazole ring systems and the central benzimidazoline moiety are 57.03 (4) and 81.01 (3)°. The crystal packing is stabilized by two C-H⋯π inter-actions.

| S-EPMC3099965 | biostudies-literature

1H-Benzotriazol-3-ium (1H-benzo-triazole-κN)trichloridocobaltate(II) monohydrate: a reformulation.

Project description:The asymmetric unit of the title compound, (C(6)H(6)N(3))[CoCl(3)(C(6)H(5)N(3))]·H(2)O, contains two crystallographically independent cations, two anions and two water mol-ecules. The structure has been reported previously [Zhang, Li, Wang, Xie, Wang & Shen (2004 ▶). Acta Cryst E60, m498-m500] as a neutral cobalt(III) complex accompanied by unprotonated benzotriazole mol-ecules and here has been redetermined as an anionic cobalt(II) complex accompanied by protonated benzotriazole cations. For both complex anions, a tetra-hedral CoNCl(3) geometry arises. A network of N-H⋯O, N-H⋯Cl, O-H⋯O and O-H⋯Cl hydrogen bonds helps to establish the packing.

| S-EPMC2914941 | biostudies-literature

Bis[(1-methyl-1H-benzimidazol-2-yl)methanol-κN,O]bis-(thio-cyanato-κN)cobalt(II) methanol solvate.

Project description:In the mononuclear title complex, [Co(NCS)(2)(C(9)H(10)N(2)O)(2)]·CH(3)OH, the cobalt(II) ion is surrounded by two (1-methyl-1H-benzimidazol-2-yl)methanol bidentate ligands and two thio-cyanate ligands, and exhibits a distorted octa-hedral coordination by four N atoms and two O atoms. The structure is consolidated by hydrogen bonds between the organic ligand, thio-cyanate anion and the uncoordinated methanol mol-ecule, leading to a chain along [100].

| S-EPMC2979919 | biostudies-literature

Crystal structure of bis-[2-(1H-benzimidazol-2-yl-κN 3)aniline-κN]bis-(nitrato-κO)cadmium(II).

Project description:In the title compound, [Cd(NO3)2(C13H11N3)2], the CdII atom lies on a twofold rotation axis and is coordinated by four N atoms and two O atoms, provided by two bidentate 2-(1H-benzimidazol-2-yl)aniline ligands, and two nitrato O atoms, forming a distorted octa-hedral geometry [range of bond angles around the Cd atom = 73.82 (2)-106.95 (8)°]. In the ligand, the dihedral angle between the aniline ring and the benzimidazole ring system is 30.43 (7)°. The discrete complex mol-ecule is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network.

| S-EPMC6775742 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

| S-EPMC2970966 | biostudies-literature

Bis(μ-1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene)bis-[bis-(thio-cyanato-κN)cadmium(II)].

Project description:The asymmetric unit of the binuclear title compound, [Cd(2)(NCS)(4)(C(24)H(20)N(6))(2)], contains one half-mol-ecule, consisting of one Cd(2+) cation, two half 1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene (L) ligands and two SCN(-) anions. The dimeric cyclic mol-ecule is completed by crystallographic inversion symmetry. The Cd(2+) cation is coordinated by two N atoms from two SCN(-) anions and four N atoms from two symmetry-related L ligands, exhibiting a distorted octrahedral coordination. A two-dimensional supra-molecular network stacked parallel to [210] is finally formed by linking these dimers through weak π-π stacking inter-actions between the pyridine rings and benzene rings of adjacent dimers, with a plane-to-plane distance of 3.36 (6) Å and a centroid-centroid distance of 3.67 (2) Å. One of the thio-cyanate S atoms is equally disordered over two positions.

| S-EPMC2983974 | biostudies-literature

μ-Oxalato-κO,O:O,O-bis-[diaqua-(2,2'-bipyridyl-κN,N')zinc] bis-[2-(1H-benzotriazol-1-yl)acetate] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(2)(C(2)O(4))(C(10)H(8)N(2))(2)(H(2)O)(4)](C(8)H(6)N(3)O(2))(2)·6H(2)O, contains one half of the centrosymmetric binuclear cation, one anion and three water mol-ecules. In the cation, the oxalate ligand bridges two Zn(II) ions in a bis-bidentate fashion, so each Zn(II) ion is coordinated by two O atoms from the oxalate ligand, two N atoms from two 2,2'-bipyridine ligands and two water mol-ecules in a distorted octa-hedral arrangement. The mean planes of the oxalate and 2,2'-bipyridine ligands form a dihedral angle of 80.0 (1)°. An extensive three-dimensional hydrogen-bonding network formed by classical O-H⋯O and O-H⋯N inter-actions consolidates the crystal packing.

| S-EPMC3274917 | biostudies-literature

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