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Structure of 4-(3-chlorophenyl)thiosemicarbazide.

作者信息

Chattopadhyay D, Banerjee T, Mazumdar S K, Ghosh S, Kuroda R

机构信息

Crystallography and Molecular Biology Division, Saha Institute of Nuclear Physics, Calcutta, India.

出版信息

Acta Crystallogr C. 1991 Jan 15;47 ( Pt 1):112-5. doi: 10.1107/s0108270190002852.

DOI:10.1107/s0108270190002852
PMID:2039609
Abstract

C7H8ClN3S, Mr = 201.67, monoclinic, P21/c, a = 6.914 (5), b = 4.304 (4), c = 30.306 (3) A, beta = 94.66 (3) degrees, V = 899.0 (1) A3, Z = 4, Dm = 1.54, Dx = 1.490 Mg m-3, lambda (Cu K alpha) = 1.5418 A, mu = 5.54 mm-1, F(000) = 416, T = 298 K, final R = 0.048 for 1219 observed reflections. The S and terminal hydrazinic N atoms are in a trans conformation. As a result of the sigma-electron-withdrawing effect of the Cl atom at the meta position in the phenyl ring with respect to the thiosemicarbazide chain, the net negative charge on the terminal N atom decreases compared to the p-chloro and p-methoxy derivatives. The antibacterial activity of the compound is also lowered.

摘要

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