Crystal and molecular structures of 2-amino-5-(m-nitrophenyl)-1,3,4-Thiadiazole

2-Amino-5-(m-nitrophenyl)-1,3,4-thiadiazole (C{sub 8}H{sub 6}N{sub 4}O{sub 2}S) is studied using IR and {sup 1}H NMR spectroscopy and X-ray diffraction (CAD4 automated diffractometer, {lambda}MoK{sub {alpha}}, graphite monochromator, 957 unique reflections, Patterson method, R = 0.0326). The crystals are monoclinic, a = 11.832 A, b = 9.862 A, c = 8.353 A, {beta} = 110.40(3) deg., V = 913.6(3) A{sup 3}, d{sub calcd} = 1.212 g cm{sup -3}, {mu}(MoK{sub {alpha}}) = 0.253 mm{sup -1}, Z = 4, and space group P2{sub 1}/c. In the crystal, the C{sub 8}H{sub 6}N{sub 4}O{sub 2}S molecules form infinite layers parallel to the xz plane. Each layer contains aromatic rings with nitro groups that deviate from the layer plane on either side of the layer. In the packing, the aromatic rings with nitro groups of one layer fill spaces between aromatic rings with nitro groups of the adjacent layers.