V. Rybakov, L. Boboshko, N. Burakov
Jul 1, 2003
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Journal
Crystallography Reports
Abstract
The structures of 1-benzoyl-3-(pyridin-2-yl)-thiocarbamide C13H11N3O1S1 (I) and 2-benzoylimino-1,2,4-thiadiazole[2,3-a]pyridine C13H9N3O1S1 (II) are studied by X-ray diffraction. Structures I [a = 5.342(4) Å, b = 20.428(5) Å, c = 11.784(4) Å, β = 90.55(2)°, Z = 4, space group P21/n) and II [a = 6.258(6) Å, b = 18.068(14) Å, c = 10.185(10) tA, β = 95.45(8)°, Z = 4, space group P21/n) are determined by direct methods and refined to R1 = 0.0673 and 0.0802, respectively. In structure I, both intramolecular (involving the O atom) and intermolecular (involving the N and S atoms) hydrogen bonds are observed. The latter bonds are responsible for the formation of centrosymmetric molecular dimers. In structure II, a short intramolecular contact (2.168 Å) is observed between the S and O atoms.