Khan F. N., Manivel P., Prabakarana K., Hathwar V. R., AKKURT M.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, vol.66, 2010 (SCI-Expanded) identifier identifier identifier


In the title molecule, C(20)H(12)ClN(3)O, the triazoloisoquinoline ring system is nearly planar, with an r.m.s. deviation of 0.018 (3) angstrom and a maximum deviation of 0.034 (3) angstrom from the mean plane for the triazole ring C atom which is bonded to the benzene ring. The furan and benzene rings are twisted by 59.71 (14) and 66.95 (10)degrees, respectively, with respect to the mean plane of the triazoloisoquinoline ring system. The molecular conformation is stabilized by an intramolecular pi-pi interaction [centroid-to-centroid distance = 3.5262 (18) angstrom]. The crystal packing is stabilized by weak C-H center dot center dot center dot pi interactions and weak pi-pi interactions [centroid-to-centroid distance = 3.9431 (17) angstrom].