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

ABSTRACT: 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??(ring) hydrogen bonds and stack the molecules along the a-axis direction.

SUBMITTER: Simpson J 

PROVIDER: S-EPMC5588590 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature