Browse
Submit Data
Databases
API
Help

Dataset Information

33 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(19)H(20)N(2)·0.5H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.005?(1)?Å]. The imidazole ring makes dihedral angles of 67.46?(10) and 23.10?(11)° with the attached benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 68.22?(10)°. Inter-molecular O-H?N and C-H?N hydrogen bonds are found in the crystal structure.

SUBMITTER: Gayathri P

PROVIDER: S-EPMC3009269 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gayathri P P Thiruvalluvar A A Srinivasan N N Jayabharathi J J Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, C(19)H(20)N(2)·0.5H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.005 (1) Å]. The imidazole ring makes dihedral angles of 67.46 (10) and 23.10 (11)° with the attached benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 68.22 (10)°. Inter-molecular O-H⋯N and C-H⋯N hydrogen bonds are found in the crystal structure. ...[more]

PMID: 21588975

Similar Datasets

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

Project description:In the title mol-ecule, C19H20N2O2, the imidazole ring makes dihedral angles of 57.29?(5) and 31.54?(5)° with the attached di-meth-oxy-phenyl residue and the phenyl ring, respectively. The dihedral angle between the di-meth-oxy-phenyl and phenyl rings is 61.15?(5)°. In the crystal, pairs of C-H?N hydrogen bonds connect the mol-ecules into inversion dimers.

| S-EPMC3790376 | biostudies-literature

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

Project description:In the title compound, C(19)H(19)FN(2)O(2), the imidazole ring is essentially planar [maximum deviation = 0.0030 (8) Å] and makes dihedral angles of 66.45 (7) and 29.98 (7)° with the benzene rings attached to the ring N and C atoms, respectively. The dihedral angle between the two benzene rings is 64.79 (7)°. A C-H⋯π inter-action is found in the crystal structure. The two meth-oxy groups were found to be disordered over two sets of sites with occupancy factors of 0.803 (4) and 0.197 (4). The F atom is disordered over two sites with occupancy factors of 0.929 (4) and 0.071 (4).

| S-EPMC3274949 | biostudies-literature

1-(3,5-Dimethyl-phenyl)-2-(4-fluoro-phenyl)-4,5-dimethyl-1H-imidazole.

Project description:In the title compound, C(19)H(19)FN(2), the imidazole ring is essentially planar [maximum deviation of 0.0015?(9)?Å] and makes dihedral angles of 77.61?(9) and 26.93?(10)° with the benzene rings attached to nitro-gen and carbon, respectively. The dihedral angle between the two benzene rings is 78.84?(8)°. A C-H?? inter-action is found in the crystal structure.

| S-EPMC3089216 | 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

4,5-Dimethyl-2-phenyl-1-(p-tol-yl)-1H-imidazole.

Project description:In the title compound, C(18)H(18)N(2), the imidazole ring is essentially planar [maximum deviation = 0.004?(1)?Å] and makes dihedral angles of 68.91?(8) and 20.43?(9)° with the tolyl and phenyl rings, respectively. The dihedral angle between the latter rings is 73.62?(8)°. The crystal packing is stabilized by inter-molecular C-H?N hydrogen bonds.

| S-EPMC3009043 | biostudies-literature

1-(3,5-Dimethyl-phen-yl)-2-(4-fluoro-phen-yl)-1H-phenanthro[9,10-d]imidazole.

Project description:In the title compound, C29H21FN2, the phenanthro tricyclic ring system is essentially planar with a maximum deviation of 0.030?(2)?Å and makes dihedral angles between of 77.96?(6) and 37.18?(7)° with the dimethyl-phenyl and fluoro-phenyl rings, respectively. The crystal packing features weak C-H?? inter-actions involving the dimethyl-phenyl and other phenyl rings.

| S-EPMC3588452 | biostudies-literature

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

Project description:In the title compound, C18H17FN2O, the imidazole ring makes dihedral angles of 68.81?(6) and 25.20?(8)° with the meth-oxy-phenyl and fluoro-phenyl rings, respectively. The dihedral angle between the meth-oxy-phenyl and fluoro-phenyl ring is 71.89?(6)°. In the crystal, mol-ecules are linked into inversion dimers with an R 2 (2)(8) graph-set motif by pairs of weak C-H?F inter-actions.

| S-EPMC3914064 | biostudies-literature

2-(4-Fluoro-phen-yl)-1-(4-meth-oxy-phen-yl)-4,5-dimethyl-1H-imidazole.

Project description:In the title compound, C(18)H(17)FN(2)O, the imidazole ring makes dihedral angles of 76.46 (7) and 40.68 (7)° with the meth-oxy-phenyl and fluoro-phenyl rings, respectively. The dihedral angle between the two benzene rings is 71.25 (6)°.

| S-EPMC3006994 | biostudies-literature

2-(2,4-Di-fluoro-phen-yl)-4,5-dimethyl-1-(4-methyl-phen-yl)-1H-imidazole monohydrate.

Project description:The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent mol-ecules (A and B), and two independent water mol-ecules of crystallization. In mol-ecule A, the imidazole ring makes dihedral angles of 47.46?(7) and 60.98?(6)° with the 2,4-di-fluoro-phenyl and methyl-phenyl rings, respectively. The corresponding angles in mol-ecule B are 45.85?(7) and 62.78?(7)°, respectively. The dihedral angle between the two benzene rings is 64.98?(7)° in mol-ecule A and 65.53?(7)° in mol-ecule B. In the crystal, the two independent mol-ecules are linked by O-H?N and O-H?O hydrogen bonds, forming chains propagating along [100]. These chains are linked via C-H?F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

| S-EPMC3884277 | biostudies-literature

2-(4-Chloro-phen-yl)-1-pentyl-4,5-di-phenyl-1H-imidazole.

Project description:In the title compound, C26H25ClN2, the phenyl rings and the 2-(4-chloro-phen-yl) group make dihedral angles of 30.03?(11), 67.49?(12) and 41.56?(11)°, respectively, with the imidazole ring. In the crystal, the mol-ecules inter-act with each other via very weak C-H?? contacts, forming layers parallel to (110).

| S-EPMC3793746 | 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