Synthesis, spectral characterization and crystal structure of 2-benzoylpyridine N(4)-cyclohexylthiosemicarbazone

The synthesis, characterization, molecular and crystal structure of 2-benzoylpyridine N(4)-cyclohexylthiosemicarbazone is reported. IR analysis was done and NMR assignments using COSY homonuclear and HMQC heteronuclear correlation techniques were carried out. The electronic structure of the compound was revealed by solid state reflectance studies and in chloroform solution. The infrared spectrum gives evidence for the compound in the thione form, which is consistent with the observed bond lengths from the crystal structure. The compound crystallizes into a monoclinic lattice with space group P21=n: The non-coplanarity of the two benzene rings in the compound is confirmed from the dihedral angles. Puckering analysis and least square planes calculations point out to chair conformation of the cyclohexyl ring. q 2004 Elsevier B.V. All rights reserved