Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,5-Dimethyl-1,2-diphenyl-1H-imidazole monohydrate.

ABSTRACT: In the title compound, C(17)H(16)N(2)·H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.0037?(7)?Å]. The imidazole ring makes dihedral angles of 80.74?(7) and 41.62?(7)° with the phenyl rings attached to the N and C atoms, respectively. The dihedral angle between the two phenyl rings is 75.83?(8)°. Inter-molecular O-H?N and O-H?O hydrogen bonds are found in the crystal structure.

SUBMITTER: Gayathri P

PROVIDER: S-EPMC3007850 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4,5-Dimethyl-1,2-diphenyl-1H-imidazole monohydrate.

Gayathri P P Thiruvalluvar A A Saravanan K K Jayabharathi J J Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

In the title compound, C(17)H(16)N(2)·H(2)O, the imidazole ring is essentially planar [maximum deviation = 0.0037 (7) Å]. The imidazole ring makes dihedral angles of 80.74 (7) and 41.62 (7)° with the phenyl rings attached to the N and C atoms, respectively. The dihedral angle between the two phenyl rings is 75.83 (8)°. Inter-molecular O-H⋯N and O-H⋯O hydrogen bonds are found in the crystal structure. ...[more]

PMID: 21588590

Similar Datasets

4,5-Bis(1H-tetra-zol-5-yl)-1H-imidazole monohydrate.

Project description:The title compound, C(5)H(4)N(10)·H(2)O, is composed of three five-membered rings that are essentially coplanar, the dihedral angles between the imidazole ring and the tetra-zole rings being 3.5?(2) and 3.0?(2)°. In the crystal, inter-molecular O-H?N, N-H?O and N-H?N hydrogen bonds lead to the formation of a three-dimensional network. An intra-molecular N-H?N hydrogen bond is also present.

| S-EPMC2969525 | 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

Bis(2-amino-4,5-dimethyl-anilinium chloride) 4,5-dimethyl-benz-ene-1,2-diamine monohydrate.

Project description:The title compound, 2C(8)H(13)N(2) (+)·2Cl(-)·C(8)H(12)N(2)·H(2)O, is a hydrated 2:1 cocrystal of the 2-amino-4,5-dimethyl-anilinium chloride salt and the 4,5-dimethyl-benz-ene-1,2-diamine free base. An intra-molecular N-H?N hydrogen bond occurs in one of the organic mol-ecules. In the crystal structure, the components are linked by N-H?Cl, N-H?N, N-H?O and O-H?Cl hydrogen bonds into a layered motif.

| S-EPMC2977749 | 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-(3,5-Dimethyl-phen-yl)-4,5-dimethyl-2-phenyl-1H-imidazole hemihydrate.

Project description: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.

| S-EPMC3009269 | biostudies-literature

2-(4-Bromo-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.

Project description:The title compound, C26H25BrN2, is isomorphous with the chloro derivative [2-(4-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole; Mohamed et al. (2013 ?). Acta Cryst. E69, o846-o847]. The two phenyl rings and the 4-bromo-phenyl ring are oriented at dihedral angles of 30.1?(2), 64.3?(3) and 42.0?(2)°, respectively, with respect to the imidazole ring. In the crystal, mol-ecules stack in columns along the b-axis direction, however, there are no significant inter-molecular inter-actions present.

| S-EPMC3884403 | 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

2-(2,6-Di-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.

Project description:The title compound, C26H24Cl2N2, crystallizes with two independent mol-ecules (1 and 2) in the asymmetric unit. In mol-ecule 1, the two phenyl and 2,6-di-chloro-phenyl rings are inclined to the imidazole ring at angles of 74.12 (14), 26.13 (14) and 67.30 (14)°, respectively. In mol-ecule 2, due to the different mol-ecular environment in the crystal, the corresponding angles are different, viz. 71.72 (15), 16.14 (15) and 80.41 (15)°, respectively. In the crystal, mol-ecules 1 and 2 are linked by C-H⋯Cl inter-actions, and inversion-related 2 mol-ecules are linked by C-H⋯π inter-actions. There are no other significant inter-molecular inter-actions present.

| S-EPMC3684931 | biostudies-literature

Piperazine-1,4-diium bis-(hydrogen 2-propyl-1H-imidazole-4,5-dicarbox-ylate) monohydrate.

Project description:The title compound, C(4)H(12)N(2) (2+)·2C(8)H(9)N(2)O(4) (-)·H(2)O, is a hydrated proton-transfer compound obtained from 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid and piperazine. The asymmetric unit contains one half-cation, one anion and half a water mol-ecule. There is a centre of inversion at the centre of the cation ring and the water molecule O atom lies on a twofold rotation axis. In the crystal, inter-molecular N-H?O and N-H?N hydrogen bonds help to construct a three-dimensional framework. Almost symmetrical, intramolecular O-H?O inter-actions are also observed.

| S-EPMC3050275 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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