Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cadmate(II) ethanol monosolvate.

ABSTRACT: In the anion of the title compound, (C(14)H(13)N(2)S)(2)[CdBr(4)]·C(2)H(5)OH, the Cd(II) atom is in a distorted tetra-hedral environment and one of the Br atoms is disordered over three sites with site-occupancy factors of 0.828?(5), 0.106?(3) and 0.068?(4). In the crystal, inter-molecular N-H?O, C-H?O and N-H?Br inter-actions result in a two-dimensional polymeric network extending parallel to (010).

SUBMITTER: Manjunatha MN

PROVIDER: S-EPMC3120599 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cadmate(II) ethanol monosolvate.

Manjunatha M N MN Ziaulla Mohamed M Begum Noor Shahina NS Nagasundara K R KR

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

In the anion of the title compound, (C(14)H(13)N(2)S)(2)[CdBr(4)]·C(2)H(5)OH, the Cd(II) atom is in a distorted tetra-hedral environment and one of the Br atoms is disordered over three sites with site-occupancy factors of 0.828 (5), 0.106 (3) and 0.068 (4). In the crystal, inter-molecular N-H⋯O, C-H⋯O and N-H⋯Br inter-actions result in a two-dimensional polymeric network extending parallel to (010). ...[more]

PMID: 21754655

Similar Datasets

Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cuprate(II) dihydrate.

Project description:The asymmetric unit of the title compound, (C(14)H(13)N(2)S)(2)[CuBr(4)]·2H(2)O, contains two cations, one anion and two solvent water mol-ecules that are connected via O-H?Br, N-H?Br and N-H?O hydrogen bonds into a two-dimensional polymeric structure. The cations are arranged in a head-to-tail fashion and form stacks along [100]. The central Cu(II) atom of the anion is in a distorted tetra-hedral environment.

| S-EPMC3089137 | biostudies-literature

3,3-Dimethyl-1,1-(propane-1,3-di-yl)diimidazol-1-ium tetra-bromido-cadmate(II).

Project description:The title compound, (C(11)H(18)N(4))[CdBr(4)], was prepared by an anion exchange. The dihedral angle between the two planar imidazolium rings in the cation is 74.4 (4)°. The crystal packing is stabilized by weak inter-molecular C-H⋯Br hydrogen bonds between the cation and the tetrahedral anion, building up a three-dimensionnal network.

| S-EPMC3008047 | biostudies-literature

1,3-Bis(pyridin-2-yl)-1H-benzimidazol-3-ium tetra-fluoridoborate.

Project description:The asymmetric unit of the title compound, C(17)H(13)N(4) (+)·BF(4) (-), contains one half of the benzimidazolium cation and one half of the tetra-fluoridoborate anion, with crystallographic mirror planes bis-ecting the mol-ecules. One F atom of the tetra-fluoridoborate is equally disordered about a crystallographic mirror plane. In the crystal, C-H?F inter-actions link the cations and anions into layers parallel to (100). The crystal packing is further stabilized by F?? contacts involving the tetra-fluoridoborate anions and the five-membered rings [F?centroid = 2.811?(2)?Å].

| S-EPMC3213512 | biostudies-literature

2-[2-(Methyl-sulfan-yl)benzimidazol-1-yl]ethanol.

Project description:In the title compound, C(10)H(12)N(2)OS, the asymmetric unit consists of two independent mol-ecules. In the crystal structure, mol-ecules form R(4) (4)(28) centrosymmetric tetra-mers via O-H?N hydrogen bonds. These tetra-mers are stacked along the c axis via C-H?O hydrogen bonds. C-H?? and ?-? inter-actions are also present; in the latter, the centroid-centroid distances are 4.075?(1) and 3.719?(1)?Å.

| S-EPMC2979779 | biostudies-literature

(±)-1-(1H-Benzimidazol-2-yl)ethanol.

Project description:The asymmetric unit of the title mol-ecule, C(9)H(10)N(2)O, contains two mol-ecules. The fused benzene and imidazole rings are nearly coplanar, the largest deviations from the mean plane being 0.025 (3) Å at the non-bridgehead imidazole C atom of one mol-ecule and 0.018 (3) Å at one of the bridgehead C atoms in the other mol-ecule. Intermolecular O-H⋯N and N-H⋯O hydrogen bonds result in the formation of a sheet parallel to the (010) plane.

| S-EPMC2961813 | biostudies-literature

2-[(1H-Benzimidazol-2-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:The title compound, C(15)H(12)N(2)OS, adopts a twisted V-shape, with the S atom as the pivot. The benzimidazole ring system [maximum deviation = 0.015 (1) Å] makes a dihedral angle of 78.56 (7)° with the phenyl ring. The O atom of the ketone group is close to coplanar with its adjacent ring [O-C-C-C torsion angle = 11.0 (2)°]. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into an infinite chain along [001]. The crystal packing also features a C-H⋯π inter-action.

| S-EPMC3394045 | biostudies-literature

1,4-Bis(1H-benzimidazol-2-yl)benzene methanol monosolvate.

Project description:The asymmetric unit of the title compound, C(20)H(14)N(4)·CH(4)O, contains two independent half-mol-ecules, each located on an inversion centre, and a methanol solvent mol-ecule. The benzimidazolyl groups form different dihedral angles [24.0?(1) and 11.6?(1)°] with the plane of the central benzene ring in the two mol-ecules. In the crystal, a two-dimensional network is formed through N-H? N, N-H?O and O-H?N hydrogen-bonding inter-actions between the benzimidazole units and methanol solvent mol-ecules. ?-? stacking inter-actions also occur between the benzimidazole rings of adjacent mol-ecules, with centroid-centroid distances of 3.720?(14)?Å and inter-planar distances of 3.53?(1)?Å .

| S-EPMC3050263 | biostudies-literature

1-{2-[2-(1H-Benzimidazol-1-yl)eth-oxy]eth-yl}-1H-benzimidazol-3-ium hexa-fluoro-phosphate.

Project description:In the title salt, C(18)H(19)N(4)O(+)·PF(6) (-), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24?(2)°. In the cation, a ?-? inter-action is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid-centroid distance = 3.5713?(11)?Å]. The PF(6) (-) ion is disordered over two sites, with occupancies of 0.895?(2) and 0.105?(2). In the crystal structure, pairs of N-H?N hydrogen bonds link the cations, forming centrosymmetric dimers. The dimers are linked via ?-? inter-actions [centroid-centroid distance = 3.5606?(11)?Å]. In addition, C-H?F hydrogen bonds are observed.

| S-EPMC2979123 | biostudies-literature

2-Methyl-sulfan-yl-1H-perimidin-3-ium iodide.

Project description:In the structure of the title salt C(12)H(11)N(2)S(+)·I(-), the methyl-sulfanyl group of the cation is nearly coplanar with the perimidine rings, as indicated by the C-S-C-N torsion angles of 2.9 (5) and -177.2 (3)°, respectively. The (S)C-N bond lengths in the heterocyclic ring are approximately equal [1.325 (5) and 1.326 (6) Å] suggesting a degree of delocalization. In the crystal, cations and anions are linked via two discrete N-H⋯I hydrogen bonds, forming chains along the b axis.

| S-EPMC3435637 | biostudies-literature

Bis(2-trifluoro-methyl-1H-benzimidazol-3-ium) tetra-chloridomercurate dihydrate.

Project description:In the title compound, (C(8)H(6)F(3)N(2))(2)[HgCl(4)]·2H(2)O, the Hg(II) cation is coordinated by four Cl(-) anions in a distorted tetra-hedral geometry. In the crystal, the 2-trifluoro-methyl-1H-benzimidazolium cations link to the [HgCl(4)](2-) complex anions and lattice water mol-ecules via N-H?Cl and N-H?O hydrogen bonds, and the lattice water mol-ecules further link to the Hg complex anion and the organic cations via O-H?Cl and O-H?F hydrogen bonding. One of the trifluoro-methyl groups is disordered over two orientations in a 0.59?(4):0.41?(4) ratio.

| S-EPMC3379063 | 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