title: 7-(4-Bromo-phen-yl)-9-phenyl-7H-pyrrolo[3,2-e]tetra-zolo[1,5-c]pyrimidine.
abstract: In the title compound, C(18)H(11)BrN(6), the phenyl ring is almost coplanar [dihedral angle 7.2 (1)°] with the planar (r.m.s. deviation 0.039 Å) tricyclic ring system while the 4-bromo-phenyl ring makes a dihedral angle of 33.98 (6)° with the ring system. Weak inter-molecular C-H⋯N and C-H⋯Br hydrogen-bonding inter-actions and π-π stacking [centroid-centroid distances = 3.7971 (17) and 3.5599 (16) Å] stabilize the crystal packing. A comparison of the structure to a MOPAC PM3 geometry optimization calculation in vacuo supports these observations.
authors.forename: Mukesh M
authors.initials: MM
authors.lastname: Jotani
authors.forename: Rina D
authors.initials: RD
authors.lastname: Shah
authors.forename: Jerry P
authors.initials: JP
authors.lastname: Jasinski
authors.forename: Ray J
authors.initials: RJ
authors.lastname: Butcher