6-(4-Bromo-phen-yl)-2-eth-oxy-4-(2,4,5-trimethoxy-phen-yl)nicotinonitrile.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C(23)H(21)BrN(2)O(4), which differ in the conformation of their ethoxy residues, i.e. almost co-planar with the pyridine ring in one mol-ecule [C-O-C-C = -174.0?(2)°] but almost perpendicular in the other [C-O-C-C = 92.8?(3)°]. The dihedral angles between the central pyridine ring and the 4-bromo-phenyl and 2,4,5-trimethoxy-phenyl rings are 11.05?(12) and 63.78?(12)°, respectively, in one mol-ecule; the corres-ponding angles in the other mol-ecule are 30.38?(13) and 65.38?(13)°, respectively. In the crystal structure, pairs of mol-ecules are arranged in a face-to-face sandwich structure which further stacks along the b axis. The crystal packing features C-H?? inter-actions and Br?O [3.5417?(17)?Å], Br?C [3.748?(3)?Å], C?N [3.376?(4)?Å] and C?O [3.351?(3)-3.409?(3)?Å] contacts. Finally, ??? inter-actions [centroid?centroid distances = 3.6346?(19) and 3.6882?(19)?Å] are observed.

SUBMITTER: Chantrapromma S 

PROVIDER: S-EPMC2983629 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature