Crystal and molecular structure of 4-(N,N-dimethylamino) benzaldehyde thiosemicarbazone

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) Å,=73.81(2),=79.59(2), =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-HS 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.