4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]amino}-1H-1,2, 4-triazole-5(4H)-thione

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2011

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Abstract

In the title compound, C <inf>12</inf>H <inf>10</inf>N <inf>6</inf>S, a weak intra-molecular C - H?S hydrogen bond stabilizes the mol-ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter-molecular N - H?N and N - H?S hydrogen bonds link molecules into chains propagating in [20 ].

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data-to-parameter ratio = 24.2, mean ?(CC) = 0.002 Å, R factor = 0.040, single-crystal X-ray study, T = 296 K, wR factor = 0.120

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Acta Crystallographica Section E: Structure Reports Online, 2011, 67, 8, pp. o1944-

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