Crystallographic, Thermal and Hirshfeld Surface Studies of N-(1H-1,3-benzodiazol-2-yl)benzamide

Abstract

In present study, the compound N-(1H-1,3-benzodiazol-2-yl)benzamide was synthesized and characterized by 1H NMR, IR, elemental and X-ray analysis. A good quality single crystal was grown by slow evaporation solution growth technique to investigate their X-ray structure. The compound crystallizes in a triclinic crystal system with space group P-1 and having the unit cell parameters of a = 10.2350(5) Ǻ, b = 14.7494(7) Ǻ, c = 24.2813(11) Ǻ, α = 79.084(4) °, β = 83.927(4) °, γ = 80.039(4) °, V = 3534.8(3) Å3and Z = 12. The molecules are arranged in a linear manner and crystal packing is stabilized by N–HO, N–HN, C–HO, C–H and intermolecular interactions. These interactions generate various hydrogen bond patterns e.g. R21(6), R22(10), R22(8), R21(7) and R44(30). Hirshfeld surface analysis suggests that the intermolecular HH, CH, NH and OH contacts are predominant. The thermal behavior of crystal was determined by DSC and TGA analysis. © 2017, The National Academy of Sciences, India.