THE CRYSTAL AND MOLECULAR-STRUCTURE OF BENZALDEHYDE THIOSEMICARBAZONE

Benzaldehyde thiosemicarbazone forms rectangular plate-like orthorhomb ic crystals elongated parallel to b-axis with unit cell dimensions of a = 20.989(5), b = 6.186(1), c = 7.653(2) Angstrom. The space group is P2(1)2(1)2(1) and there are four molecules per unit cell, D-m is 1.18 (2) g cm(-3) and D-c is 1.16 g cm(-3). The structure has been solved b y direct methods and refined by least-squares to an R index of 0.05 fo r 1125 observed reflections with a diffractometer. The structure compr ises one molecule per asymmetric unit. The benzene ring and the thiose micarbazide group are individually planar, but the thiosemicarbazide g roup is tilted by similar to 11 degrees to the mean benzene plane. The C-S bond distance 1.686 Angstrom is similar to that found in other th iosemicarbazones. The N-N bond length of 1.389 Angstrom is interpreted in terms of the conjugation of the side-chain with the benzene ring.