Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

ABSTRACT: In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

SUBMITTER: Mohamed OM

PROVIDER: S-EPMC2971137 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Mohamed Ould M'hamed OM M'rabet Hedi H Hemissi Hanene H El Efrit Mohamed M

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082 (1) Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H⋯N hydrogen bonds occur. ...[more]

PMID: 21578520

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

(4S,5S)-2,2-Dimethyl-4,5-bis-(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl-meth-yl)-1,3-dioxolane.

Project description:In the chiral title compound, C(15)H(22)N(4)O(2)S(2), there are two mol-ecules in the asymmetric unit with distinctly different conformations, as quanti-fied by torsion angles. The dihedral angles between the thio-imidazole rings are 81.59?(5) and 67.04?(4)°. One mol-ecule exhibits local twofold rotation symmetry, while the other displays no local symmetry. Inter-molecular C-H?O and C-H?S inter-actions are observed.

| S-EPMC2915016 | biostudies-literature

4,4'-Dichloro-3,3',5,5'-tetra-methyl-2,2'-[(3aR,7aR/3aS,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]diphenol.

Project description:In the title compound, C(25)H(32)Cl(2)N(2)O(2), there are two intra-molecular O-H? N hydrogen-bonding inter-actions between the hy-droxy groups on the aromatic rings and the two N atoms of the heterocyclic group. The cyclo-hexane ring adopts a chair conformation and the imidazolidine unit to which it is fused has a twisted envelope conformation. The asymmetric unit comprises one half-mol-ecule which is completed by a twofold rotation axis. A C-H?O inter-action is observed in the crystal structure.

| S-EPMC3213571 | biostudies-literature

2,2-Dimethyl-2,3-dihydro-1H-perimidine.

Project description:The title compound, C(13)H(14)N(2), was obtained from reaction of diaminona-phthalene with acetone. In both independent mol-ecules in the asymmetric unit, the tricyclic perimidine consists of a planar (r.m.s. deviations = 0.0125 and 0.0181 Å) naphthalene ring system and an envelope conformation C(4)N(2) ringwith the NCN group hinged with respect to the naph-thalene backbone by 36.9 (2) and 41.3 (2)° in the two independent molecules. The methyl substituents are arranged approximately axial and equatorial on the apical C atom. In the crystal, one of the N-H groups of one independent mol-ecule is involved in classical N-H⋯N hydrogen bonding. Short inter-molecular (C/N)-H⋯π(arene) inter-actions, near the short T-shaped limit, link mol-ecules in the absence of strong acceptors.

| S-EPMC3569779 | biostudies-literature

1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone.

Project description:The title compound C(8)H(8)N(2)Se, is the product of the reaction of 2-chloro-1-methyl-benzimidazole with sodium hydro-selenide. The mol-ecule is almost planar (r.m.s. deviation = 0.041 Å) owing to the presence of the long chain of conjugated bonds (Se=C-NMe-C=C-C=C-C=C-NH). The C=Se bond length [1.838 (2) Å] corresponds well to those found in the close analogs and indicates its pronounced double-bond character. In the crystal, mol-ecules form helicoidal chains along the b axis by means of N-H⋯Se hydrogen bonds.

| S-EPMC3344510 | biostudies-literature

1,1'-[(2-Phenyl-2,3-dihydro-1H-benz-imidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The imidazole ring in the title compound, C(27)H(22)N(8), adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C-H⋯π inter-action, which connects the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3274994 | biostudies-literature

4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octa-hydro-1H-benzimidazole-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:The asymmetric unit of the title compound, C23H30N2O2, contains one half-mol-ecule, with a twofold axis splitting the mol-ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827-830] but the enanti-omer reported here crystallized in the ortho-rhom-bic space group P21212 (Z = 2), whereas the racemate occurs in the triclinic space group P-1 (Z = 2). The observed mol-ecular conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds, which generate rings with graph-set motif S(6). In the crystal, mol-ecules are linked via non-classical C-H⋯O inter-actions, which stack the mol-ecules along the b axis.

| S-EPMC3772489 | biostudies-literature

4,4'-Difluoro-2,2'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methyl-ene)]}diphenol.

Project description:In the crystal structure of the title compound, C(21)H(24)F(2)N(2)O(2), the two N atoms of the imidazolidine moiety are linked to the hy-droxy groups by intra-molecular O-H?N hydrogen-bonding inter-actions. The crystal studied was a racemic mixture of RR and SS enatiomers. The cyclo-hexane ring adopts a chair conformation and the imidazolidine group to which it is fused has a twisted envelope conformation.

| S-EPMC3120376 | biostudies-literature

4,4'-Dimeth-oxy-2,2'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-diyl]bis(methyl-ene)}diphenol.

Project description:The title compound, C(23)H(30)N(2)O(4), is a Mannich base useful for studying the effect of an electron-donating phenol substituent on intra-molecular hydrogen bonding. In the mol-ecular structure, the cyclo-hexane ring adopts a chair conformation and the five-membered ring has a twisted envelope conformation. Each meth-oxy group is oriented in the same plane of the respective aromatic ring, showing torsion angles below 11.8 (3)° and bond angles between the meth-oxy group and the aromatic ring of 116.6 (2) and 116.6 (1)°. The structure shows inter-actions between two the N atoms of the heterocyclic ring and the hy-droxy groups by intra-molecular O-H⋯N hydrogen-bonding inter-actions. In the crystal, C-H⋯O inter-actions are observed. The crystal studied was a racemic mixture of RR and SS enanti-omers.

| S-EPMC3200725 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(21)H(24)I(2)N(2)O(2), the two N atoms of the imidazolidine moiety are linked to the hy-droxy groups by intra-molecular O-H⋯N hydrogen-bonding inter-actions. The cyclo-hexane ring adopts a chair conformation and the heterocyclic ring to which it is fused has a twisted envelope conformation.

| S-EPMC3200707 | 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