Synthesis and Crystal Structure of N-(3-methyl-5-phenyl-3,5-dihydro-4H-1,2,4-triazol-4-yl)benzamide

Abstract

The title compound, N-(3-methyl-5-phenyl-3,5-dihydro-4H-1,2,4-triazol-4-yl)benzamide, C<inf>16</inf>H<inf>14</inf>N<inf>4</inf>O, crystallizes in the monoclinic space group P2<inf>1</inf>/c with the following unit cell parameters: a = 10.6011(6)Å, b = 7.5676(4)Å, c = 19.6363(11)Å, β = 95.062(5)° and Z = 4. Molecules are linked principally by O-H···N hydrogen bonds involving the water OH<inf>2</inf> group and a triazole N atom, forming R<inf>4</inf>4(10) and R<inf>4</inf>4(14) rings, which link to give a one-dimensional network of molecules. An extensive two-dimensional network of N-H···O, C-H···O and O-H···N hydrogen bonds, with π-π and π- ring interactions, are responsible for crystal stabilization. 2008 © The Japan Society for Analytical Chemistry.