（E）-4-（2-羟基-3-甲氧基-亚苄基氨基）-6-甲基-3-硫亚基-3,4-二氢-1,2,4-三嗪-5（2H）-酮
(E)-4-(2-Hy-droxy-3-meth-oxy-benzyl-idene-amino)-6-methyl-3-sulfanyl-idene-3,4-dihydro-1,2,4-triazin-5(2H)-one.
作者信息
Shirinkam Bahareh, Tabatabaee Masoumeh, Gassemzadeh Mitra, Neumuller Bernhard
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2815. doi: 10.1107/S1600536812036756. Epub 2012 Aug 31.
Abstract
In the title mol-ecule, C(12)H(12)N(4)O(3)S, there is an intra-molecular O-H⋯N hydrogen bond. The dihedral angle between the benzene and triazine rings is 65.9 (3)°. In the crystal, N-H⋯S and O-H⋯N hydrogen bonds link the mol-ecules into chains along [010]. In addition, there are weak π-π stacking inter-actions between symmetry-related triazine rings with a centroid-centroid distance of 3.560 (3)°.
摘要
在标题分子C(12)H(12)N(4)O(3)S中，存在一个分子内O-H⋯N氢键。苯环和三嗪环之间的二面角为65.9 (3)°。在晶体中，N-H⋯S和O-H⋯N氢键将分子沿[010]连接成链。此外，在对称相关的三嗪环之间存在弱的π-π堆积相互作用，质心间距为3.560 (3)°。
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