Crystal and molecular structure of 3-phenyl-4-(p-chlorobenzylamino)-4,5-dihydro-1-H-1,2,4-triazol-5-on

Yilmaz, V.T.Agar, E.Guven, K.Kahveci, B.Sasmaz, S.2020-06-252020-06-252004closedAccess0232-13001521-4079https://doi.org/10.1002/crat.200310258https://hdl.handle.net/20.500.12587/3239Yilmaz, Veysel/0000-0002-2849-3332The 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.eninfo:eu-repo/semantics/closedAccess1,2,4-triazolecrystal structureCrystal and molecular structure of 3-phenyl-4-(p-chlorobenzylamino)-4,5-dihydro-1-H-1,2,4-triazol-5-onArticle39981181410.1002/crat.2003102582-s2.0-4644283799Q3WOS:000223853900011Q3