Scopus: 3-({4-[(2-Methylbenzylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl} methyl)-1,3-benzoxazol-2(3H)-one
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Abstract
In the title compound, C18H15N5O2S, a weak intramolecular C - H⋯S hydrogen bond results in a small dihedral angle of 3.71 (9)° between the methylphenyl and triazole rings, which, in turn, form dihedral angles of 80.09 (8) and 77.32 (8)°, respectively, with the benzoxazolone mean plane. In the crystal, N - H⋯O hydrogen bonds link molecules into chains along [001], and weak C - H⋯N hydrogen bonds and π-π interactions between the five- and six-membered rings [centroid-centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.
Date
2013-02-01
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data-to-parameter ratio = 16.7 | mean σ(C-C) = 0.003 Å | R factor = 0.042 | single-crystal X-ray study | T = 296 K | wR factor = 0.110