Synthesis, spectroscopic characterization, mass spectrometry, and crystal structure of N-{[(4-bromophenyl)amino]carbonothioyl}benzamide

摘要

N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, ~1H- and ~(13)C-NMR, mass spectrometry, and elemental analysis. The crystal structure was determined from single crystal X-ray diffraction data. It crystallizes in monoclinic space group P2_1 with unit cell dimensions a = 13.822(3) A, b = 5.927(2) A, c = 16.642(3) A, and β = 103.963(3)° . There is a strong intramolecular hydrogen bond of the type N--HΛO, with an HΛO distance of 2.6129 (11) A. The mass fragmentation pattern is also discussed.