Z. Karczmarzyk, M. Mojzych, A. Rykowski
Jun 1, 2000
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0
Influential Citations
11
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Journal
Journal of Chemical Crystallography
Abstract
The reaction of 3-(methylthio)-5-propanoyl-1,2,4-triazine with p-chlorophenylhydrazine hydrochloride is completed within 5 min at room temperature in ethanol leading to p-chlorophenylhydrazone of 3-(methylthio)-5-propanoyl-1,2,4-triazine 1 in good yield. Title compound, 1 (R = C2H5, R1 = Cl, Z = SCH3), C13H14N5SCl, crystallizes in the monoclinic system, space group P21/n, with cell constants a = 12.5206(6) Å, b = 9.3122(8) Å, c = 12.8524(9) Å, and β = 98.822(5)°, Z = 4, T = 293 K, Dcal = 1.381 g cm−3. The structure was solved by direct methods and refined to R value of 0.0671 for 1,679 reflections. The molecule as a whole has an almost planar conformation and possesses (E) configuration with respect to the C=N double bond. The crystal structure is stabilized by a weak N(13)–H(13)···N(2) intermolecular hydrogen bond and significant stacking, characteristic for π-electron systems.