1-（苯并噻唑-2-基）-3-（4-硝基苯甲酰基）硫脲
1-(Benzothia-zol-2-yl)-3-(4-nitro-benzo-yl)thio-urea.
作者信息
Saeed Sohail, Rashid Naghmana, Hussain Rizwan, Jones Peter G
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2106. doi: 10.1107/S1600536809030803.
Abstract
The mol-ecule of the title compound, C(15)H(10)N(4)O(3)S(2), is almost planar (r.m.s. deviation = 0.1Å for all non-H atoms). An intra-molecular N-H⋯O=C hydrogen bond is observed. In the crystal, mol-ecules are connected into layers parallel to (10) by a classical inter-molecular hydrogen bond from the second NH group to a nitro O atom and by three weak hydrogen bonds of the C-H⋯X type (X = O or S(thione)).
摘要
标题化合物C(15)H(10)N(4)O(3)S(2)的分子几乎呈平面状（所有非H原子的均方根偏差 = 0.1Å）。观察到一个分子内N-H⋯O=C氢键。在晶体中，分子通过第二个NH基团与一个硝基O原子之间的经典分子间氢键以及三个C-H⋯X型（X = O或硫酮S）弱氢键连接成平行于(10)的层。
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