The Crystal Structure of 2-Nitro-N-(4-nitrophenyl)benzamide

Authors: AAMER SAEED, SHAHID HUSSAIN, ULRICH FLÖRKE

Abstract: 2-Nitro-N-(4-nitrophenyl)benzamide was synthesized and characterized by spectroscopy and elemental analysis. The crystal structure was determined from single-crystal X-ray diffraction data. It crystallizes in the orthorhombic space group, P 2_12_12_1, with unit cell dimensions a = 8.9443(10) Å, b = 9.7147(11) Å, and c = 13.8016(16) Å. The dihedral angle between the 2 aromatic rings is 82.32(4)^{\circ}. The N2 and N3 nitro groups are oriented with respect to their attached phenyl rings at dihedral angles of 1.97(3)^{\circ} and 15.73(3)^{\circ}, respectively. The intramolecular C-H{\ldots}O hydrogen bond results in the formation of a non-planar 6-membered ring. In the crystal structure, intermolecular N-H...O hydrogen bonds seem to be effective in the stabilization of the structure, resulting in the formation of a 3-dimensional network.

Keywords: X-ray structure, 2-nitro-N-(4-nitrophenyl)benzamide

Full Text: PDF