S. Malinovskii, G. Rusu, N. Barba
May 1, 2000
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Journal
Crystallography Reports
Abstract
The crystal structure of 5-(2′-Aminophenyl)-2-dimethylamino-1,3,4-thiazole is determined by X-ray diffraction. The compound is prepared by an unusual recyclization of 3-N, N-dimethylthioureidoquinazolin-4(3H)-one. The crystal is monoclinic, space group P21/c, a = 7.420(2) Å, b = 10.466(5) Å, c = 14.752(9) Å, β = 109.2(4)°, ρcalcd = 1.359 g/cm3, and Z = 4 for the C10H12N4S composition. The molecule consists of the thiadiazole and phenyl rings and the dimethylamine N(CH3)2 and amine NH2 groups attached to the rings. The molecule as a whole is planar. The dihedral angle between the rings is 8.9°. The N(1) and N(4) atoms in the molecule are bound through the intramolecular interaction (2.76 Å). Molecules, which are linked in pairs by antiparallel hydrogen bonds, form a framework structure.