Abstract
4-(N,N-Dimethylamino)benzaldehyde thiosemicarbazone, C10H14N4S, has been prepared. The crystal structure has been determined from X-ray diffractometer data byMultan 78. The crystals are triclinic:P¯1,a=8.532(1),b=9.391(1),c=15.592(4) A,α=73.81(2),β=79.59(2), γ=82.85(2)°,Z=4, finalR=0.033 for 2198 observed reflections. Atomic charge densities have been calculated by the CNDO/2 method. The S and hydrazinic N atoms in both molecules in the asymmetric unit are in thetrans configuration. The crystal structure is stabilized by N-H⋯S hydrogen bonds. The net negative charge on the hydrazinic N atom, calculated by the CNDO/2 method, is decreased as compared to those in some 4-phenylthiosemicarbazide derivatives.
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