THE CRYSTAL AND MOLECULAR-STRUCTURE OF 2-FORMYLFURAN THIOSEMICARBAZONE

2-Formylfuran thiosemicarbazone, C6H7N3OS, forms pale yellow, needle l ike, monoclinic crystals with cell dimensions of a = 21.160(18), b = 5 .645 (8), c = 13.551(10) angstrom, and beta = 97.03(4)-degrees. The sp ace group is P2(1)/n; there are eight molecules per unit cell, D(m) = 1.37(2)g CM-3 and D(c) = 1.35 g cm-3. The crystal structure has been s olved by direct phasing multisolution method and refined by least squa res method to an R index of 0.06 for 1670 observed reflections with a single crystal X-ray diffractometer. The structure comprises two discr ete non-equivalent molecules per asymmetric unit. The furan rings are planar and there are no strong intermolecular interactions. The thiose micarbazide group is tilted to the furan ring by 4-degrees in molecule 1, and by 21-degrees in molecule 2. The C-S average bond distance, 1. 68 angstrom is comparable with that found in other thiosemicarbazones. The N-N average bond length 1.390 angstrom is interpretted in terms o f the conjugation of the side chain with the furan ring.