| Literature DB >> 21580361 |
Rina D Shah, Mukesh M Jotani, Jerry P Jasinski.
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 π-π stacking inter-actions [centroid-centroid distances: 3.8413 (8) and 3.5352 (8) Å]. Intra-molecular C-H⋯N hydrogen bonds are also present.Entities:
Year: 2010 PMID: 21580361 PMCID: PMC2983688 DOI: 10.1107/S160053681000485X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368