5-丙基-6-（对甲苯基硫烷基）嘧啶-2,4（1H，3H）-二酮
5-Propyl-6-(p-tolyl-sulfan-yl)pyrimidine-2,4(1H,3H)-dione.
作者信息
Al-Omary Fatmah A M, Ghabbour Hazem A, El-Emam Ali A, Chidan Kumar C S, Fun Hoong-Kun
机构信息
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi Arabia.
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 22;70(Pt 2):o179-80. doi: 10.1107/S1600536814000749. eCollection 2014 Feb 1.
In the title pymiridine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 66.69 (10)°. The mol-ecule is twisted about the Cp-S (p = pyrimidine) bond, with a C-S-C-N torsion angle of -19.57 (16)°. In the crystal, adjacent mol-ecules form inversion dimers through pairs of strong N-H⋯O hydrogen bonds, generating an R 2 (2)(8) ring motif. The dimers are connected into chains extending along the c-axis direction through additional N-H⋯O hydrogen bonds.
在标题化合物嘧啶 - 2,4 - 二酮衍生物C₁₄H₁₆N₂O₂S中，六元环之间的二面角为66.69 (10)°。分子围绕Cp - S（p = 嘧啶）键扭曲，C - S - C - N扭转角为 - 19.57 (16)°。在晶体中，相邻分子通过成对的强N - H⋯O氢键形成反演二聚体，产生R 2 (2)(8)环 motif。这些二聚体通过额外的N - H⋯O氢键连接成沿c轴方向延伸的链。
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