Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Similar Datasets

Bis[2-(1H-1,2,3-benzotriazol-1-yl)acetic acid-κN]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-κN(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 π-π 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

trans-Diaqua-bis[5-(1H-imidazol-4-yl-κN)-1H-tetra-zolato-κN]zinc(II).

Project description:In the title complex, [Zn(C(4)H(3)N(6))(2)(H(2)O)(2)], the metal centre lies on an inversion centre and displays a distorted octa-hedral ZnN(4)O(2) coordination geometry. The organic ligand is not planar; the dihedral angle between the imidazole and tetra-zole rings is 8.39 (9)°. An extended network of inter-molecular N-H⋯N and O-H⋯N hydrogen bonds stabilizes the crystal structure.

| S-EPMC2977593 | biostudies-literature

Bis[4,5-dimethyl-2-(2-pyrid-yl)-1H-imidazole-κN,N](1H-imidazole-κN)copper(II) bis-(perchlorate).

Project description:In the title complex, [Cu(C(3)H(4)N(2))(C(10)H(11)N(3))(2)](ClO(4))(2), the Cu(II) cation has a distorted trigonal-bipyramidal geometry defined by a CuN(2)N'(2)N'' donor set. The imidazole ligand is disordered over two orientations of equal occupancy. Two of the perchlorate ion sites are located on a twofold rotation axis, and one of is disordered over two sites of equal occupancy. In the crystal structure there is a two-dimensional infinite network of hydrogen-bonded mol-ecules parallel to the ab plane.

| S-EPMC2961873 | biostudies-literature

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

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

Bis[2-(1H-pyrazol-3-yl-κN)pyridine-κN]dithio-cyanato-κN,κS-cadmium(II).

Project description:The mol-ecular structure of the mononuclear complex, [Cd(SCN)(2)(C(8)H(7)N(3))(2)], contains a Cd(II) atom in a distorted octa-hedral coordination defined by five N atoms from two bidentate chelate 2-(1H-pyrazol-3-yl)pyridine ligands and by one SCN(-) anion. The second SCN(-) anion provides its S atom for completion of the coordination sphere. The complex is linked to four others by N-H⋯N and N-H⋯S hydrogen-bonding inter-actions between the pyrazol N-H group and the terminal S and N atoms of neighbouring SCN(-) anions. This arrangement leads to the formation of sheets parallel to (100). Face-to-face π-π stacking inter-actions with shortest inter-planar distances of 3.805 (2) and 3.696 (2) Å help to consolidate the crystal packing.

| S-EPMC2983401 | biostudies-literature

Bis[2-(1H-1,2,4-triazol-1-yl-κN)-1,10-phenanthroline-κN,N']zinc(II) bis-(perchlorate).

Project description:In the title complex, [Zn(C(14)H(9)N(5))(2)](ClO(4))(2), 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline functions as a tridentate ligand and the Zn(II) ion assumes a distorted octa-hedral ZnN(6) coordination geometry. There is a weak π-π stacking inter-action between symmetry-related triazolyl rings with a centroid-centroid distance of 3.802 (4) Å and a perpendicular distance of 3.413 Å between the rings.

| S-EPMC2971005 | 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[2-(3,4-disulfanylphen-yl)acetato]bis-(2-methyl-1H-imidazole-κN)zinc(II).

Project description:In the title mononuclear zinc(II) complex, [Zn(C(8)H(7)O(2)S(2))(2)(C(4)H(6)N(2))(2)], the Zn(II) atom, lying on a twofold axis, is coordinated by two O atoms from two 2-(3,4-disulfanylphen-yl)acetate anions and by two N atoms from 2-methyl-imidazole ligands in a distorted tetra-hdral coordination. The crystal structure is stabilized by inter-molecular C-H⋯O and N-H⋯O hydrogen bonds and π-π inter-actions with a centroid-centroid distance of 3.6136 (16) Å.

| S-EPMC2970003 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data