Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[4-(Prop-2-en-1-yl-oxy)benz-yl]-2-[4-(prop-2-en-1-yl-oxy)phen-yl]-1H-benzimidazole.

ABSTRACT: In the title compound, C26H24N2O2, the benzimidazole ring system is almost planar [maximum displacement = 0.025 (1) Å] and makes dihedral angles of 80.48 (5) and 41.57 (5)° with the benzene rings, which are inclined to one another by 65.33 (6)°. In the crystal, mol-ecules are linked via C-H⋯π and weak π-π inter-actions [centroid-centroid distance = 3.8070 (7) Å and inter-planar distance = 3.6160 (5) Å].

SUBMITTER: Rahman ML

PROVIDER: S-EPMC3588921 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.

Project description:In the title compound, C(20)H(17)Cl(2)F(2)N(3)O(2), the triazole ring makes dihedral angles of 28.0 (3) and 72.5 (2)° with the 2,4-dichloro-pheny and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z-conformation about the C=C double bond. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules.

| S-EPMC3379359 | biostudies-literature

(2E)-3-[4-(1H-Benzimidazol-2-ylmeth-oxy)phen-yl]-1-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(24)H(20)N(2)O(3), the mean plane of the benzimidazole unit makes dihedral angles of 79.88?(11) and 85.44?(12)° with the benzene and 4-meth-oxy-benzene rings, respectively. The benzene and 4-meth-oxy-benzene rings maske a dihedral angle of 16.10?(14)°. A pair of inter-molecular N-H?O hydrogen bonds connects adjacent mol-ecules into an inversion dimer, generating an R(2) (2)(26) ring motif. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC3089334 | biostudies-literature

2-(3,4-Dimeth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C(26)H(24)N(2)O(2), the planar 1H-imidazole ring makes dihedral angles of 35.78?(4), 26.35?(5) and 69.75?(5)°, respectively, with the dimeth-oxy-phenyl ring and the phenyl rings in the 4- and 5-positions. In the crystal, C-H?O hydrogen bonds connect neighbouring mol-ecules, forming infinite chains running along the b axis. Furthermore, the crystal structure exhibits a C-H-?? inter-action between a methyl H atom and a phenyl ring from an adjacent mol-ecule.

| S-EPMC3470344 | 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

1-{(Z)-1-[3-(4-Bromo-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate.

Project description:In the title mol-ecular salt, C(20)H(19)BrF(2)N(3)O(2) (+)·NO(3) (-), the N atom at position 4 of the heterocyclic ring is protonated. The triazole ring makes dihedral angles of 96.6?(4) and 54.4?(3)° with the 4-bromo-phenyl and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z conformation about the C=C double bond. In the crystal, cations and anions are linked by N-H?O and C-H?O hydrogen bonds.

| S-EPMC3393281 | biostudies-literature

(E)-Benz-yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)amine.

Project description:The triazole ring of the title compound, C20H20N4O, is normal to the central benzene ring, making a dihedral angle of 90.0 (3)°, and forms a dihedral angle of 69.2 (3)° with the terminal phenyl ring. The dihedral angle between the phenyl and benzene rings is 88.2 (3)°. The atoms of the terminal propenyl group are disordered over two sets of sites, with a site-occupancy ratio of 0.663 (13):0.337 (13). In the crystal, C-H⋯N contacts lead to the formation of a layer structure extending parallel to (011). Two weak C-H⋯π inter-actions are also observed.

| S-EPMC3998458 | biostudies-literature

1-(4-Bromo-benz-yl)-2-(4-bromo-phen-yl)-1H-benzimidazole.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromo-benzyl and 4-chloro-phenyl groups are 50.72?(17) and 71.29?(16)°, respectively, while the corresponding angles in the second mol-ecule are 42.09?(16) and 89.05?(17)°. The 4-bromo-benzyl and 4-bromo-phenyl groups make an angle of 68.1?(2) and 85.1?(21)° with each other in the two mol-ecules. In the crystal, weak C-H?N and C-H?Br hydrogen bonds link the mol-ecules along the c-axis direction. Br?Br inter-actions [3.5733?(9)Å] are also observed.

| S-EPMC4011315 | biostudies-literature

1-(4-Methyl-benz-yl)-2-(4-methyl-phen-yl)-1H-benzimidazole.

Project description:The title compound, C(22)H(20)N(2), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The benzimidazole units are almost planar [maximum deviations = 0.0161 (8) Å for A and 0.0276 (8) Å for B]. The dihedral angles between the benzimidazole unit and the benzene rings of the 4-methyl-benzyl and 4-methyl-phenyl groups are 76.64 (3) and 46.87 (4)°, respectively, in mol-ecule A. The corresponding values in mol-ecule B are 86.31 (2) and 39.14 (4)°. The dihedral angles between the planes of the two benzene rings are 73.73 (3) and 80.69 (4)° in mol-ecules A and B, respectively. Pairs of weak inter-molecular C-H⋯N hydrogen bonds link B mol-ecules, forming centrosymmetric dimers with R(2) (2)(8) ring motifs. There are no significant corresponding inter-actions involving the A mol-ecules.

| S-EPMC3239139 | biostudies-literature

2-(2,5-Di-meth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C26H24N2O2, the two phenyl and the 2,5-di-meth-oxy-phen-yl rings are inclined to the imidazole ring at dihedral angles of 30.38?(8), 56.59?(9) and 73.11?(9)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H?O inter-actions into centrosymmetric dimers with graph-set notation R 2 (2)(8). C-H?? inter-actions are also observed.

| S-EPMC3770375 | biostudies-literature

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

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