CRYSTAL RESEARCH AND TECHNOLOGY, vol.39, no.9, pp.811-814, 2004 (SCI-Expanded)
The structure of the title compound, C15H13N4OCl was determined by single crystal X-ray diffraction technique. The structure consists of a p-chlorobenzylamino moiety and triazol and phenyl rings. The title compound crystallizes in the monoclinic space group P2(1)/c with a = 14.368(3), b = 6.255(3), c = 17.631(3) Angstrom, beta = 113.24(3)degrees, Z = 4, V = 1455.8(8) Angstrom(3) and D-x = 1.372 gcm(-3). The structure was solved by direct methods and refined by full-matrix least-squares method (R=0.0477). The dihedral angle between the triazole moiety and the phenyl ring is 28.8(3)degrees. The molecular packing is stabilized by N-(HN)-N-... and N-(HO)-O-... types of inter molecular hydrogen bonds.