Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[4-(1H-Imidazol-4-yl)phen-yl]-1H-imidazole.

ABSTRACT: In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02?(8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H?N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011).

SUBMITTER: Wang Q

PROVIDER: S-EPMC3435647 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-[4-(1H-Imidazol-4-yl)phen-yl]-1H-imidazole.

Wang Qian Q Zhao Xiao-Li XL

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02 (8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H⋯N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011). ...[more]

PMID: 22969520

Similar Datasets

2-[(1H-Imidazol-2-yl)disulfan-yl]-1H-imidazole.

Project description:In the title molecule, C(6)H(6)N(4)S(2), a twofold rotation axis passes through the mid-point of the S-S bond. The C-S-S-C torsion angle is 83.62?(17)°. ?-? stacking between imidazole rings of adjacent mol-ecules is observed in the crystal structure, the centroid-centroid distance being 3.447?(2)?Å. Inter-molecular N-H?S hydrogen bonding results in the formation of a linear chain in the c-axis direction.

| S-EPMC3201382 | biostudies-literature

Ethyl 1-[3-(1H-imidazol-1-yl)prop-yl]-2-(4-chloro-phen-yl)-1H-benzo[d]imidazole-5-carboxyl-ate dihydrate.

Project description:In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014?(1)?Å] is inclined at angles of 36.32?(5) and 74.75?(7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water mol-ecules are linked to the organic mol-ecules to form a three-dimensional network via O-H?N and O-H?O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C-H?O bonds, generating R(1) (2)(6) loops. C-H?? inter-actions are also observed.

| S-EPMC3200625 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

| S-EPMC3344427 | biostudies-literature

1-[(Biphenyl-4-yl)(phen-yl)meth-yl]-1H-imidazole (bifonazole).

Project description:In the title compound, C(22)H(18)N(2), the dihedral angles formed by the imidazole ring with the phenyl ring and the benzene ring of the biphenyl group are 87.02?(5) and 78.20?(4)°, respectively. In the crystal, mol-ecules inter-act through inter-molecular C-H?N hydrogen bonds, forming chains parallel to the b axis. These chains are further linked into a three-dimensional network by C-H?? stacking inter-actions.

| S-EPMC2983152 | biostudies-literature

2-[(1H-Imidazol-1-yl)meth-yl]-1-[4-(trifluoro-meth-yl)phen-yl]-1H-indole.

Project description:In the title compound, C(19)H(14)F(3)N(3), the dihedral angles between the mean planes of the indole ring and the 4-CF(3)-phenyl and imidazole rings are 54.95?(4) and 61.36?(7)°, respectively.

| S-EPMC3344036 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanol.

Project description:In the title compound, C(11)H(11)FN(2)O, the dihedral angle between the mean planes of the two rings is 1.30?(4)°. In the crystal, O-H?N hydrogen bonds link the mol-ecules into chains along the b axis.

| S-EPMC3254495 | biostudies-literature

1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone.

Project description:In the title compound, C(11)H(9)FN(2)O, the dihedral angle between the rings is 87.50?(4)°. In the crystal, inter-molecular C-H?N hydrogen bonds link the mol-ecules in a stacked arrangement along the c axis.

| S-EPMC3213485 | biostudies-literature

2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3050166 | biostudies-literature

2-[4-(4,5-Dihydro-1H-pyrrol-2-yl)phen-yl]-4,5-dihydro-1H-imidazole.

Project description:The mol-ecule of the title compound, C(12)H(14)N(4), lies about a crystallographic inversion centre. The five- and six-membered rings are twisted from each other, forming a dihedral angle of 18.06?(7)°. In the crystal structure, neighbouring mol-ecules are linked by inter-molecular N-H?N hydrogen bonds into one-dimensional infinite chains forming 18-membered rings with R(2) (2)(18) motifs. The crystal structure is further stabilized by weak inter-molecular ?-? stacking [centroid-centroid distance = 3.8254?(6)?Å] and C-H?? inter-actions.

| S-EPMC2960053 | biostudies-literature

2-(4-Methoxy-phen-yl)-4,5-dihydro-1H-imidazole.

Project description:In the title mol-ecule, C(10)H(12)N(2)O, the dihedral angle between the benzene and imidazole rings is 14.86?(16)°. The approximately planar arrangement of the mol-ecule results in a distance of 2.54?Å between an ortho-H atom of the benzene ring and the double-bonded N atom of the imidazole ring. In the crystal structure, symmetry-related mol-ecules are linked by inter-molecular N-H?N hydrogen bonds into one-dimensional chains extending along the a axis.

| S-EPMC2968807 | 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