Browse
Submit Data
Databases
API
Help

Dataset Information

40 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dibromido[(S)-2-(pyrrolidin-2-yl)-1H-benzimidazole]zinc(II).

ABSTRACT: The title compound, [ZnBr(2)(C(11)H(13)N(3))], was synthesized by hydro-thermal reaction of ZnBr(2) and (S)-2-(pyrrolidin-2-yl)-1H-benzimidazole. The Zn(II) atom has a distorted tetra-hedral geometry and is coordinated by two N atoms from the chelating organic ligand and two terminal Br(-) anions. In the crystal structure, mol-ecules are linked into a chain along the [101] direction by N-H⋯Br and C-H⋯Br hydrogen bonds.

SUBMITTER: Dai W

PROVIDER: S-EPMC2961939 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dibromido[(S)-2-(pyrrolidin-2-yl)-1H-benzimidazole]zinc(II).

Dai Wei W Fu Da-Wei DW

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

The title compound, [ZnBr(2)(C(11)H(13)N(3))], was synthesized by hydro-thermal reaction of ZnBr(2) and (S)-2-(pyrrolidin-2-yl)-1H-benzimidazole. The Zn(II) atom has a distorted tetra-hedral geometry and is coordinated by two N atoms from the chelating organic ligand and two terminal Br(-) anions. In the crystal structure, mol-ecules are linked into a chain along the [101] direction by N-H⋯Br and C-H⋯Br hydrogen bonds. ...[more]

PMID: 21203009

Similar Datasets

Bis(nitrato-κO)[(S)-2-(pyrrolidin-2-yl)-1H-benzimidazole]cadmium(II).

Project description:The title compound, [Cd(NO(3))(2)(C(11)H(13)N(3))(2)], was synthesized by hydro-thermal reaction of Cd(NO(3))(2) and S-2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole. The Cd atom lies on an inversion centre. The distorted octa-hedral Cd environment contains two planar trans-related N,N-chelating S-2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole ligands in one plane and two monodentate nitrate ligands. N-H⋯O hydrogen bonds involving a nitrate O atom build up an infinite chain parallel to the a axis.

| S-EPMC2961940 | biostudies-literature

Dibromido[1,1'-dibutyl-2,2'-(pentane-1,1-di-yl)di-1H-benzimidazole]-copper(II).

Project description:In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra-hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis-(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the benzimidazole groups. Each bis-(benzimidazole) fragment contains three n-butyl substituents, two of which have the expected trans conformation; the third exhibits the higher-energy cis conformation, an orientation consistent with several short intra-molecular C-H⋯Br inter-actions. Essentially planar (r.m.s. deviations of 0.0101 and 0.0183 Å) benzimidazole groups are oriented so as to give the bis-(benzimidazole) fragment a V-shaped appearance in profile with the cis and trans n-butyl groups directed to opposite sides of the planes. In the crystal, columns of mol-ecules along the b-axis direction form layers parallel to the (202) planes. Within a given column, the mol-ecules are linked by C-H⋯Br hydrogen bonds. The mol-ecules in adjacent columns are also linked by inter-molecular C-H⋯π interactions, forming a three-dimensional network.

| S-EPMC3007084 | biostudies-literature

Bis[2-(pyrrolidin-2-yl)-1H-benzimidazole-?N,N]copper(II) dinitrate dihydrate.

Project description:In the title compound, [Cu(C(11)H(13)N(3))(2)](NO(3))(2)·2H(2)O, synthesized by hydro-thermal reaction of Cu(NO(3))(2) and racemic 2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole, the Cu(II) atom lies on an inversion centre. The distorted octa-hedral Cu(II) environment contains two planar trans-related N,N-chelating 2-(pyrrolidin-2-yl)-1H-1,3-benzimidazole ligands in the equatorial plane and two monodentate nitrate anions, which are in weak inter-action with the Cu atom, in the axial positions. The two benzimidazole ligands have opposite configurations (R/S and S/R) and compound is a meso complex. In the crystal, N-H?O and O-H?O hydrogen bonds generate an infinite three-dimensional network. One methylene group of the pyrrolidine ring is disordered over two position with a 0.56?(3):0.44?(3) occupancy.

| S-EPMC2969581 | biostudies-literature

Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole-?N (3)}-zinc(II).

Project description:In the title complex, [ZnCl2(C10H9N5)2], the Zn(II) ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetra-hedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021?(3) and 0.030?(3)?Å, and form dihedral angles of 73.2?(2) and 83.5?(2)° with the triazole rings. In the crystal, N-H?N hydrogen bonds link complex mol-ecules into chains along [010]. In addition, weak C-H?Cl and C-H?N hydrogen bonds complete a three-dimensional network. Two weak intra-molecular C-H?Cl hydrogen bonds are also observed.

| S-EPMC3647793 | biostudies-literature

Poly[[(?-1H-benzimidazole-5,6-dicarboxyl-ato)zinc(II)] monohydrate].

Project description:The three-dimensional polymeric title compound, {[Zn(C(9)H(4)N(2)O(4))]·H(2)O}(n), contains one crystallographically independent Zn(II) atom, one fully deprotonated 1H-benzimid-azole-5,6-dicarboxyl-ate (bdc) ligand and one uncoordinated water mol-ecule. The Zn(II) atom is four-coordinated by three O atoms and one N atom from the bdc ligands, giving a distorted tetra-hedral coordination geometry. The uncoordinated water mol-ecule is bound to the main structure through a strong bdc-water N-H?O hydrogen bond, and two much weaker water-bdc O-H?O inter-actions.

| S-EPMC2969483 | biostudies-literature

Tetra-?-benzoato-bis-{[4-(pyrrolidin-1-yl)pyridine]zinc(II)}.

Project description:The central part of the title centrosymmetric dinuclear complex, [Zn(2)(C(7)H(5)O(2))(4)(C(9)H(12)N(2))(2)], has a paddle-wheel conformation with four benzoate ligands bridging two symmetry-related Zn(II) ions. The distorted square-pyramidal coordination environment around the Zn(II) ion is completed by an N atom from a 4-(pyrrolidin-1-yl)pyridine ligand. The Zn?Zn separation of 2.9826?(12)?Å does not represent a formal direct metal-metal bond. The Zn(II) ion is displaced by 0.381?(1)?Å from the mean plane of the four basal O atoms. Two of the C atoms of the pyrrolidine ring are disordered over two sites with refined occupancies of 0.53?(2) and 0.47?(2).

| S-EPMC2980161 | biostudies-literature

Dibromido{2-[1-(cyclo-propyl-imino)-eth-yl]pyridine}-zinc(II).

Project description:In the title compound, [ZnBr(2)(C(10)H(12)N(2))], the Zn(2+) ion is coordinated by the N,N'-bidentate Schiff base ligand and two bromode ions in a distorted tetra-hedral arrangement. The dihedral angle between the pyridine and the cyclo-propyl rings is 95.4?(8)°.

| S-EPMC3007484 | biostudies-literature

Dibromido[1,1'-dibenzyl-2,2'-(sulfane-diyl-dimethyl-ene)di-1H-benzimidazole]-cadmium(II) dimethyl-formamide solvate.

Project description:In the title compound, [CdBr(2)(C(30)H(26)N(4)S)]·C(3)H(7)NO, both the complex and solvent mol-ecule lie on a crystallographic mirror plane. The Cd(II) ion is coordinated in a disorted square-pyramidal CdBr(2)N(2)S environment with one of the Br atoms in the apical site. In the crystal structure, the benzimidazole ring systems are involved in weak inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.606?(2) and 3.753?(2)?Å]. Further stabilization is provided by weak inter-molecular C-H?O hydrogen bonds. The methyl H atoms of the dimethyl-formamide solvent mol-ecule are disordered about a mirror plane.

| S-EPMC3007206 | biostudies-literature

Dibromido{2-[(4-bromo-phen-yl)imino-meth-yl]pyridine-?N,N'}zinc(II).

Project description:In the title complex, [ZnBr(2)(C(12)H(9)BrN(2))], the Zn(II) ion is in a distorted tetra-hedral coordination environment formed by two imine N atoms of the bis-chelating N-heterocyclic ligand and two Br atoms. The dihedral angle between the pyridine and benzene rings is 8.04?(17)°.

| S-EPMC2977329 | biostudies-literature

Dibromido{2-[(4-nitro-phen-yl)imino-meth-yl]pyridine-κN,N'}zinc(II).

Project description:In the title compound, [ZnBr(2)(C(12)H(9)N(3)O(2))], the Zn(II) ion is bonded to two Br ions and two N atoms of the diimine ligand in a distorted tetra-hedral geometry. With the exception of the Br atoms, all other atoms are disordered over two sets of sites corresponding to a 180° rotation of the mol-ecule along [[Formula: see text]02]. The refined occupancies of the components are 0.809 (2) and 0.191 (2). In addition, the crystal studied was a non-merohedral twin with a refined component ratio of 0.343 (2):0.657 (2).

| S-EPMC3246977 | 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