Publication: 3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.
No Thumbnail Available
Date
2013-02-01T00:00:00Z
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Metrikler
Total Views
0
Total Downloads
0
Abstract
In the title compound, C(18)H(15)N(5)O(2)S, a weak intra-molecular C-H⋯S hydrogen bond results in a small dihedral angle of 3.71 (9)° between the methyl-phenyl 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 mol-ecules into chains along [001], and weak C-H⋯N hydrogen bonds and π-π inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.
Description
Keywords
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