4-（4-氯苯基）-6-（甲硫基）嘧啶-2-胺
4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.
作者信息
Zhao Qi-Hua, Li Li-Nan, Wang Kun-Miao
机构信息
School of Chemical Science and Technology, Key Laboratory of Medicinal Chemistry for Natural Resources, Ministry of Education, Yunnan University, Kunming 650091, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 8;65(Pt 8):o1793. doi: 10.1107/S1600536809024891.
In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99 (4)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H⋯S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face π-π stacking inter-actions in a zigzag fashion along the c axis, with perpendicular ring distances of 3.463 and 3.639 Å, and a dihedral angle between the planes of 3.99 (2)°. The distance between the ring centroids is 4.420 (2) Å.
在标题化合物C₁₁H₁₀ClN₃S中，苯环和嘧啶环之间的二面角为3.99 (4)°。在晶体中，分子间的N-H⋯N氢键将分子连接成平行于[100]的R₂²(8)环的带状结构。弱的C-H⋯S接触将相邻的带状结构连接成平行于(110)延伸的二维起伏层状结构。相邻分子的苯环和嘧啶环沿着c轴以锯齿状方式具有面对面的π-π堆积相互作用，垂直环间距为3.463和3.639 Å，平面间的二面角为3.99 (2)°。环心之间的距离为4.420 (2) Å。
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