Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2,6-Diiso-propyl-phen-yl)-1H-benzimidazole.

ABSTRACT: In the title compound, C19H22N2, both the benzimidazole unit and the 2,6-diiso-propyl-phenyl group are essentially planar [maximum deviations from the least-squares planes of 0.005?(1) and 0.009?(1)?Å, respectively]. The dihedral angle between the two planes is 79.6?(7)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by weak C-H?N inter-actions. The crystal structure also features C-H?? inter-actions, which link the chains into a three-dimensional network.

SUBMITTER: Lai S

PROVIDER: S-EPMC3793814 | biostudies-other | 2013

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-(2,6-Diiso-propyl-phen-yl)-1H-benzimidazole.

Lai Sha S Chen Yong Y Li Yan Y Shen Yonggang Y Wu Hongwei H

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

In the title compound, C19H22N2, both the benzimidazole unit and the 2,6-diiso-propyl-phenyl group are essentially planar [maximum deviations from the least-squares planes of 0.005 (1) and 0.009 (1) Å, respectively]. The dihedral angle between the two planes is 79.6 (7)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by weak C-H⋯N inter-actions. The crystal structure also features C-H⋯π inter-actions, which link the chains into a three-dimensional network. ...[more]

PMID: 24109401

Similar Datasets

2-[4-(1H-1,2,4-Triazol-1-yl)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C(15)H(11)N(5), the benzimidazole ring system is nearly planar [maximum deviation = 0.039?(2)?Å], and is oriented at a dihedral angle of 28.85?(10)° with respect to the benzene ring; the dihedral angle between the triazole and benzene rings is 17.30?(15)°. In the crystal N-H?N hydrogen bonds link the mol-ecules into chains. Weak C-H?N inter-actions are also present.

| S-EPMC3470242 | biostudies-literature

2-(3,4,5-Trimethoxy-phen-yl)-1H-benzimidazole.

Project description:In the title compound, C(16)H(16)N(2)O(3), the dihedral angle between the mean planes of the aromatic ring systems is 30.90 (15)°. In the crystal structure, the mol-ecules form [010] chains by way of N-H⋯N hydrogen bonds.

| S-EPMC2961418 | biostudies-literature

2-(3,4-Di-fluoro-phen-yl)-1H-benzimidazole.

Project description:In the title mol-ecule, C13H8F2N2, the dihedral angle between the benzimidazole ring system and the di-fluoro-substituted benzene ring is 30.0?(1)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains along [010]. In addition, weak C-H?F hydrogen bonds connect chains into a two-dimensional network parallel to (001). A weak C-H?? inter-action is observed between an H atom of the benzimidazole ring sytem and the ? system of the di-fluoro-substituted benzene ring.

| S-EPMC3884342 | biostudies-literature

2-(3,4-Dimeth-oxy-phen-yl)-1H-benzimidazole.

Project description:In title compound, C(15)H(14)N(2)O(2), the dihedral angle between the 3,4-dimeth-oxy-phenyl group and the benzimidazole system is 26.47 (6)°. In the crystal, neighbouring mol-ecules are linked by N-H⋯N hydrogen bonds into C(4) chains propagating along the c-axis direction. The crystal structure also features weak C-H⋯O inter-actions.

| S-EPMC3238911 | biostudies-literature

2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C14H9F3N2, the mean planes of the benzimidazole ring system and the tri-fluoro-methyl-substituted benzene ring form a dihedral angle of 30.1?(1)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds into chains along [010]. Weak C-H?F hydrogen bonds and a weak C-H?? inter-action connect the chains into a two-dimensional network parallel to (001).

| S-EPMC4120605 | biostudies-literature

1-[(4-tert-Butyl-phen-yl)sulfon-yl]-1H-benzimidazole.

Project description:The title compound, C(17)H(18)N(2)O(2)S, was synthesized by aryl-sulfonyl-ation of 1-hy-droxy-methyl-1H-benzimidazole in the presence of triethyl-amine. The benzimidazole and benzene rings form a dihedral angle of 84.1 (1)°. The tert-butyl group was treated as rotationally disordered over two orientations in a 0.51 (2):0.49 (2) ratio. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains propagating in [010].

| S-EPMC3051969 | biostudies-literature

2-(Thio-phen-2-yl)-1-(thio-phen-2-ylmeth-yl)-1H-benzimidazole.

Project description:In the title compound, C(16)H(12)N(2)S(2), the thio-phene groups are rotationally disordered over two sets of sites, by approximately 180°, with occupancy ratios of 0.916?(2):0.084?(2) and 0.903?(2):0.097?(2). The major components of the thio-phene and methyl-ene substituted thio-phene rings are canted by 24.06?(12) and 85.07?(10)°, respectively, from the benzimidazole ring system plane and the dihedral angle between the major component thio-phene ring planes is 84.90?(14)°. In the crystal, there is a weak C-H?N hydrogen bond which links mol-ecules into chains.

| S-EPMC3275178 | biostudies-literature

7-Chloro-5-(2-ethoxy-phen-yl)-1-methyl-3-propyl-2,6-dihydro-1H-pyrazolo[4,3-d]pyrimidine.

Project description:In the title compound, C(17)H(21)ClN(4)O, the benzene ring is oriented at dihedral angles of 1.59?(3) and 1.27?(3)° with respect to the pyrimidine and pyrazole rings, while the dihedral angle between the pyrimidine and pyrazole rings is 0.83?(3)°. An intra-molecular N-H?O hydrogen bond results in the formation of a planar (r.m.s. deviation 0.004?Å) six-membered ring.

| S-EPMC2970445 | biostudies-literature

1-Phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole.

Project description:In the title mol-ecule, C(20)H(13)F(3)N(2), the benzimidazole unit is close to being planar [maximum deviation = 0.012 (1) Å] and forms dihedral angles of 31.43 (7) and 61.45 (9)° with the 4-(trifluoromethyl)phenyl and 1-phenyl rings, respectively; the dihedral angle between these rings is 60.94 (10)°. In the crystal, C-H⋯F hydrogen bonds link the mol-ecules into chains along the c-axis direction. The CF(3) group is rotationally disordered with an occupancy ratio of 0.557 (8):0.443 (8) for the F atoms.

| S-EPMC3569777 | biostudies-literature

2-(4-Fluoro-phen-yl)-1-phenyl-1H-benzimidazole.

Project description:In the title mol-ecule, C(19)H(13)FN(2), the benzimidazole unit is close to planar [maximum deviation = 0.0342 (9) Å] and forms dihedral angles of 58.94 (3) and 51.43 (3)° with the phenyl and fluoro-benzene rings, respectively; the dihedral angle between the phenyl and fluoro-benzene rings is 60.17 (6)°. In the crystal, three C-H⋯F hydrogen bonds and two weak C-H⋯π inter-actions involving the fused benzene ring lead to a three-dimensional architecture.

| S-EPMC3435725 | 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