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

ABSTRACT: The title compound, C24H19ClN2, crystallizes with two independent mol-ecules in the asymmetric unit. The prop-2-enyl substituents on the imidazole rings adopt similar conformations in the two mol-ecules. The 4-and 5-substituted phenyl rings and the benzene ring make dihedral angles of 67.06?(8), 5.61?(8) and 41.09?(8)°, respectively, with the imadazole ring in one mol-ecule and 71.53?(8), 28.85?(8) and 41.87?(8)°, respectively, in the other. The crystal structure features C-H?? inter-actions and weak ?-? stacking inter-actions [centroid-centroid distances = 3.6937?(10) and 4.0232?(10)?Å] between the chloro-phenyl rings, which form a three-dimensional supramolecular structure.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3685034 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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

Mohamed Shaaban K SK Akkurt Mehmet M Marzouk Adel A E AA Santoyo-Gonzalez Francisco F Elremaily Mahmoud A A MA

Acta crystallographica. Section E, Structure reports online 20130511 Pt 6

The title compound, C24H19ClN2, crystallizes with two independent mol-ecules in the asymmetric unit. The prop-2-enyl substituents on the imidazole rings adopt similar conformations in the two mol-ecules. The 4-and 5-substituted phenyl rings and the benzene ring make dihedral angles of 67.06 (8), 5.61 (8) and 41.09 (8)°, respectively, with the imadazole ring in one mol-ecule and 71.53 (8), 28.85 (8) and 41.87 (8)°, respectively, in the other. The crystal structure features C-H⋯π inter-actions and ...[more]

PMID: 23795053

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Project description:The mol-ecular conformation of the title compound, C(28)H(21)ClN(2), is stabilized by an intra-molecular C-H⋯N hydrogen bond. It has many pharmacological properties, such as being an inhibitor of P38 MAP Kinase, and can play an important role in biochemical processes.

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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 π-π stacking [centroid-centroid distance = 3.8254 (6) Å] and C-H⋯π inter-actions.

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