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) A3 and Z = 12. The molecules are arranged in a linear manner and crystal packing is stabilized by N–H···O, N–H···N, C–H···O, C–H···π and π–π intermolecular interactions. These interactions generate various hydrogen bond patterns e.g. $$ {\mathbf{R}}_{{\mathbf{2}}}^{{\mathbf{1}}} ({\mathbf{6}}) $$ , $$ {\mathbf{R}}_{{\mathbf{2}}}^{{\mathbf{2}}} ({\mathbf{10}}) $$ , $$ {\mathbf{R}}_{{\mathbf{2}}}^{{\mathbf{2}}} ({\mathbf{8}}) $$ , $$ {\mathbf{R}}_{{\mathbf{2}}}^{{\mathbf{1}}} ({\mathbf{7}}) $$ and $$ {\mathbf{R}}_{{\mathbf{4}}}^{{\mathbf{4}}} ({\mathbf{30}}) $$ . Hirshfeld surface analysis suggests that the intermolecular H···H, C···H, N···H and O···H contacts are predominant. The thermal behavior of crystal was determined by DSC and TGA analysis.