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Crystal structure of 1-[2-(4-chloro-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol.

ABSTRACT: The title compound, C₂₄H₂₁ClN₂O, crystallizes with two unique mol-ecules in the asymmetric unit. In each mol-ecule, the central imidazole ring is substituted at the 2-, 4- and 5-positions by benzene rings. The 2-substituted ring carries a Cl atom at the 4-position. One of the imidazole N atoms in each mol-ecule has a propan-2-ol substituent. In the crystal, a series of O-H?N, C-H?O and C-H?Cl hydrogen bonds, augmented by several C-H??(ring) inter-actions, generate a three-dimensional network of mol-ecules stacked along the a-axis direction.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC5209773 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of 1-[2-(4-chloro-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol.

Mohamed Shaaban K SK Marzouk Adel A AA Albayati Mustafa R MR Abdelhamid Antar A AA Simpson Jim J

Acta crystallographica. Section E, Crystallographic communications 20170101 Pt 1

The title compound, C24H21ClN2O, crystallizes with two unique mol-ecules in the asymmetric unit. In each mol-ecule, the central imidazole ring is substituted at the 2-, 4- and 5-positions by benzene rings. The 2-substituted ring carries a Cl atom at the 4-position. One of the imidazole N atoms in each mol-ecule has a propan-2-ol substituent. In the crystal, a series of O-H⋯N, C-H⋯O and C-H⋯Cl hydrogen bonds, augmented by several C-H⋯π(ring) inter-actions, generat ...[more]

PMID: 28083137

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Crystal structure of 1-[2-(4-nitro-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol.

Project description:The title compound, C24H21N3O3, crystallizes with two unique but closely r.m.s. overlay fit = 0.215 Å) comparable mol-ecules (1 and 2) in the asymmetric unit of the triclinic unit cell. In molecule 1, the dihedral angles between the central imidazlole ring and the benzene-ring substituents are 42.51 (9), 45.41 (9) and 56.92 (8)°, respectively. Comparable data for molecule 2 are 39.36 (10), 34.45 (11) and 60.34 (8)°, respectively. The rings at the 2-positions carry p-nitro substituents that subtend dihedral angles of 12.9 (4)° in mol-ecule 1 and 11.7 (4)° in mol-ecule 2 to their respective benzene ring planes. The imidazole rings also have propan-2-ol substituents on the 1-N atoms, which adopt extended conformations for the N-C-C-C chains. In the crystal, classical O-H⋯N hydrogen bonds combine with C-H⋯O, C-H⋯N and C-H⋯π(ring) hydrogen bonds and stack the molecules along the a-axis direction.

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