7-(4-Chloro-phen-yl)-9-phenyl-7H-pyrrolo[3,2-e]tetra-zolo[1,5-c]pyrimidine.

ABSTRACT: In the title compound, C(18)H(11)ClN(6), the pyrrole, pyrimidine and tetra-zole rings form a nearly planar fused trihetrocyclic system with an r.m.s. deviation of 0.0387?(13)?Å, to which the 4-chloro-phenyl group and the phenyl group are substituted at the 7 and 9 positions, respectively. The dihedral angles between the pyrrole ring and the 4-chloro-phenyl and phenyl rings are 32.1?(4) and 7.87?(7)°, respectively. In the crystal, weak inter-molecular C-H?N and C-H?Cl hydrogen bonds link the mol-ecules into a layer parallel to the (001) plane. The layers are further connected by ?-? stacking inter-actions [centroid-centroid distances: 3.8413?(8) and 3.5352?(8)?Å]. Intra-molecular C-H?N hydrogen bonds are also present.

SUBMITTER: Shah RD 

PROVIDER: S-EPMC2983688 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature