Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[2-(2-Thien-yl)vin-yl]-1H-1,3-benzimidazole.

ABSTRACT: In the title compound, C(13)H(10)N(2)S, the dihedral angle between the imidazole and thio-phene rings is 16.89?(19)°, and the double bond adopts an E configuration. In the crystal structure, N-H?N hydrogen bonds link the mol-ecules into rows along b. There is also evidence of weak C-H?S inter-actions.

SUBMITTER: Hang T

PROVIDER: S-EPMC2961456 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-[2-(2-Thien-yl)vin-yl]-1H-1,3-benzimidazole.

Hang Tian T Ye Qiong Q

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

In the title compound, C(13)H(10)N(2)S, the dihedral angle between the imidazole and thio-phene rings is 16.89 (19)°, and the double bond adopts an E configuration. In the crystal structure, N-H⋯N hydrogen bonds link the mol-ecules into rows along b. There is also evidence of weak C-H⋯S inter-actions. ...[more]

PMID: 21202694

Similar Datasets

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

1,3-Bis(3-phenyl-prop-yl)-1H-1,3-benzimidazole-2(3H)-selone.

Project description:The title mol-ecule, C(25)H(26)N(2)Se, has mirror symmetry, with the mirror plane passing through the atoms of the C=Se bond and the mid-points of the two C-C bonds of the benzene ring of the benzimidazole group. The dihedral angle between the benzimidazole ring system and the phenyl ring is 71.62?(14)°.

| S-EPMC3089112 | biostudies-literature

1,3-Bis(ethoxy-meth-yl)-1H-benzimidazole-2(3H)-thione.

Project description:In the structure of the title compound, C(13)H(18)N(2)O(2)S, mol-ecules are linked together by inter-molecular C-H?S inter-actions into one-dimensional extended chains along the a axis. The crystal packing is further influenced by weak C-H?O inter-actions.

| S-EPMC2979012 | biostudies-literature

1,1'-[(2,3,3a,4,5,6,7,7a-Octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The cyclo-hexane ring in the title compound, C(21)H(24)N(8), adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C-C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66?(8) and 84.18?(8)° with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80?(9)°. The bond lengths and angles are within normal ranges; the largest deviation from expecta-tion is for a long N-CH(2) bond length [1.476?(2)?Å] as a consequence of an anomeric effect. In the crystal, mol-ecules are connected by C-H?N hydrogen bonds.

| S-EPMC3247461 | biostudies-literature

Dimethyl 2,2'-[2,2'-bi(1H-1,3-benzimidazole)-1,1'-di-yl]diacetate.

Project description:The whole mol-ecule of the title compound, C(20)H(18)N(4)O(4), is generated by an inversion center. The benzimidazole ring mean plane make a dihedral angle of 89.4 (8)° with the plane passing through the acetate group (COO). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.743 (3) Å] involving inversion-related benzimidazole groups.

| S-EPMC3414963 | biostudies-literature

Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)prop-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(23)H(22)N(4)O(4), the essentially planar [maximum deviation = 0.022?(1)?Å] benzimidazole ring system forms dihedral angles of 86.16?(7) and 37.38?(6)°, respectively, with the imidazole and benzene rings. The dioxolane ring adopts an envelope conformation with the methyl-ene C atom at the flap. In the crystal, C-H?O and C-H?N inter-actions link the mol-ecules into a ribbon along the a axis. The crystal packing is further stabilized by weak ?-? stacking inter-actions [centroid-centroid distances = 3.5954?(8) and 3.7134?(8)?Å] and C-H?? inter-actions.

| S-EPMC3254578 | biostudies-literature

catena-Poly[[[2-(1,3-thia-zol-4-yl)-1H-benzimidazole]-manganese(II)]-?-oxalato].

Project description:In the title compound, [Mn(C2O4)(C10H7N3S)] n , the Mn(II) cation is chelated by one 2-(1,3-thia-zol-4-yl)-1H-benzimidazole ligand and two oxalate anions in a distorted N2O4 octa-hedral geometry. Two independent oxalate anions are located on individual inversion centers and bridge the Mn(II) cations into a polymeric chain running along [101]. The thia-zole ring is approximately coplanar with the benzimidazole ring system [dihedral angle = 4.19?(9)°]. In the crystal, classical N-H?O hydrogen bonds and weak C-H?O hydrogen bonds link the polymeric chains into a three-dimensional supra-molecular architecture.

| S-EPMC3884504 | biostudies-literature

6-[(E)-2-Phenyl-vin-yl]-1H-indole.

Project description:The title compound, C(16)H(13)N, is essentially planar [maximum deviation from the least-squares plane = 0.081?(3)?Å], with a dihedral angle of 1.65?(13)° between the planes of the indole and benzene rings. In the crystal, there are no significant inter-molecular ?-? inter-actions [minimum ring centroid-centroid separation = 4.217?(5)?Å].

| S-EPMC3254428 | biostudies-literature

Crystal structure of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)meth-yl]-2-(thia-zol-4-yl)-1H-benzimidazole.

Project description:The benzimidazole ring in the title compound, C16H17N3O2S, is almost planar, with the greatest deviation from the mean plane being 0.032 (1) Å. The fused-ring system makes dihedral angles of 19.91 (7) and 24.51 (8)° with the best plane through each of the thia-zol-4-yl and 1,3-dioxolan-4-yl rings, respectively; the latter exhibits an envelope conformation with the methyl-ene C atom being the flap. Finally, the thia-zol-4-yl ring makes a dihedral angle of 33.85 (9)° with the 1,3-dioxolan-4-yl ring. In the crystal, mol-ecules are connected by a pair of C-H⋯π(imidazole) inter-actions to form centrosymmetric aggregates.

| S-EPMC4719918 | biostudies-literature

Ethyl 1-[2-(morpholin-4-yl)eth-yl]-2-[4-(morpholin-4-yl)phen-yl]-1H-1,3-benzimidazole-5-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(26)H(32)N(4)O(4), consists of two independent mol-ecules. In both mol-ecules, the eth-oxy groups are each disordered over two sets of sites with occupancies of 0.695?(4):0.305?(4) and 0.877?(2):0.123?(2). The dihedral angles between the benzimidazole ring system and the adjacent benzene ring in the two mol-ecules are 41.41?(5) and 31.46?(5)°. In the crystal, mol-ecules are linked by C-H?O and C-H?N inter-actions.

| S-EPMC3152030 | 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