Methyl (E)-2-[(3-chloro-4-cyano-phenyl)-imino]-4-(4-chloro-phen-yl)-6-methyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

ABSTRACT: In the title compound, C(20)H(16)Cl(2)N(4)O(2), the dihedral angles between the planes of the chloro-phenyl, chloro-cyano-phenyl-imine and ester groups and the plane of the six-membered tetra-hydro-pyrimidine ring are 86.9?(2), 72.6?(2) and 7.9?(2)°, respectively. The Cl atom substituent on the cyano-phenyl ring is disordered over two rotationally related sites [occupancy factors 0.887?(2):0.113?(2)], while the mol-ecular conformation is stabilized by the presence of an intra-molecular aromatic C-H?? inter-action. Both N-H groups participate in separate inter-molecular hydrogen-bonding associations with centrosymmetric cyclic motifs [graph sets R(2) (2)(8) and R(2) (2)(12)], resulting in ribbons parallel to [010]. Further weak C-H?O hydrogen bonds link these ribbons into a two-dimensional mol-ecular assembly.

SUBMITTER: Venugopala KN 

PROVIDER: S-EPMC3470343 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature