Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(20)H(16)N(2)O, the 1H-benzimidazole ring forms dihedral angles of 48.00 (6) and 64.48 (6)°, respectively with the benzene and phenyl rings, which are inclined to one another by 58.51 (7)°. In the crystal, weak C-H⋯π inter-actions are the only inter-molecular inter-actions present.

SUBMITTER: Mohandas T

PROVIDER: S-EPMC3569798 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Mohandas T T Jayamoorthy K K Jayabharathi J J Sakthivel P P

Acta crystallographica. Section E, Structure reports online 20130123 Pt 2

In the title compound, C(20)H(16)N(2)O, the 1H-benzimidazole ring forms dihedral angles of 48.00 (6) and 64.48 (6)°, respectively with the benzene and phenyl rings, which are inclined to one another by 58.51 (7)°. In the crystal, weak C-H⋯π inter-actions are the only inter-molecular inter-actions present. ...[more]

PMID: 23424544

Similar Datasets

2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C(14)H(9)F(3)N(2)O, the best planes of the benzimidazole group and benzene ring form a dihedral angle of 26.68 (3)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains parallel to the c axis. Stacking inter-actions between the benzimidazole groups [centroid-centroid distance = 3.594 (5) Å] assemble the mol-ecules into layers parallel to (100). The trifluoro-methyl group is disordered over three sets of sites with site-occupancy factors of 0.787 (4), 0.107 (7) and 0.106 (7).

| S-EPMC3569794 | 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

Ethyl 1-phenyl-2-[4-(trifluoro-meth-oxy)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(23)H(17)F(3)N(2)O(3), an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. The essentially planar 1H-benzimidazole ring system [maximum deviation = 0.021 (2) Å] forms dihedral angles of 25.00 (10) and 62.53 (11)° with the trifluoro-meth-oxy-substituted benzene and phenyl rings, respectively. The twist of the ethyl acetate group from the least-squares plane of the 1H-benzimidazole ring system is defined by a C(=O)-O-C-C torsion angle of 79.5 (3)°. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the bc plane by weak C-H⋯N and C-H⋯O hydrogen bonds. Weak C-H⋯π inter-actions also observed.

| S-EPMC3435731 | biostudies-literature

1-{2-Phenyl-2-[4-(trifluoro-meth-yl)-benzyl-oxy]eth-yl}-1H-benzimidazole.

Project description:The asymmetric unit of the crystal structure of the title compound, C(23)H(19)F(3)N(2)O, contains two independent mol-ecules. In the two mol-ecules the planar benzimidazole ring systems are oriented with respect to the phen-yl/trifluoro-methyl-benzene rings at dihedral angles of 9.62 (6)/78.63 (7) and 2.53 (8)/83.83 (9)°. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into R(2) (2)(6) dimers. The mol-ecules are elongated along [001] and stacked along the b axis.

| S-EPMC2962243 | biostudies-literature

Ethyl 1-phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(23)H(17)F(3)N(2)O(2), contains two mol-ecules. In one of the mol-ecules, the phenyl and triflouromethyl-substituted benzene rings form dihedral angles of 52.05 (8) and 33.70 (8)°, respectively, with the benzimidazole ring system, while the dihedral angle between them is 58.24 (10)°. The corresponding values in the other mol-ecule are 58.40 (8), 25.90 (8) and 60.83 (10)°, respectively. In the crystal, mol-ecules are linked into chains along [100] by C-H⋯O and C-H⋯N hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid distance = 3.6700 (12) Å] also occur.

| S-EPMC3379430 | biostudies-literature

5-Meth-oxy-3-[(5-meth-oxy-1H-indol-3-yl)(phen-yl)meth-yl]-1H-indole.

Project description:In the title compound, C(25)H(22)N(2)O(2), the indole rings are individually almost planar [with maximum deviations of 0.0116 (19) and 0.0113 (18) Å] and are almost orthogonal to each other, making a dihedral angle of 84.49 (6)°. The benzene ring is inclined at 72.83 (9) and 80.85 (9)° with respect to the indole rings. In the crystal, mol-ecules are linked by N-H⋯O inter-actions into chains running parallel to the c axis. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC3238863 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59?(6)-42.55?(6)°. In the crystal, extensive C-H?O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H?? contacts.

| S-EPMC3247369 | biostudies-literature

1-(3-Meth-oxy-phen-yl)-4,5-dimethyl-2-phenyl-1H-imidazole.

Project description:In the title compound, C18H18N2O, the imidazole ring makes dihedral angles of 68.26 (7) and 22.45 (9)° with the meth-oxy-phenyl and phenyl rings, respectively. The dihedral angle between the meth-oxy-phenyl and phenyl ring is 71.86 (7)°. In the crystal, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules into columns propagated in [101].

| S-EPMC3770416 | biostudies-literature

Ethyl 1-(butan-2-yl)-2-(2-meth-oxy-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(21)H(24)N(2)O(3), the mean planes of the benzene ring and the benzimidazole ring system form a dihedral angle of 69.94 (7)°. The ethyl group atoms of the ethano-ate fragment are disordered over two sets of sites, with refined occupancies of 0.742 (6) and 0.258 (6). In the crystal, there are weak C-H⋯N hydrogen bonds which connect mol-ecules into chains along the b axis. A weak inter-molecular C-H⋯π inter-action is also observed.

| S-EPMC3238892 | 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

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