3-[(2-氯-1,3-噻唑-5-基)甲基]-5-甲基-1,3,5-恶二嗪-4-酮
3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-5-methyl-1,3,5-oxadiazinan-4-one.
作者信息
Kant Rajni, Gupta Vivek K, Kapoor Kamini, Shripanavar Chetan S, Banerjee Kaushik
机构信息
X-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3109. doi: 10.1107/S1600536812042031. Epub 2012 Oct 13.
In the title compound, C(8)H(10)ClN(3)O(2)S, the oxadiazinane ring is in a sofa conformation with the ring O atom deviating from the best plane of the remaining five atoms by 0.636 (2) Å. A short intra-molecular C-S⋯O=C contact [S⋯O 3.122 (2) Å, C-S⋯O 80.0 (2)°] is observed between the two mol-ecular fragments bridged by the methyl-ene group. In the crystal, C-H⋯O hydrogen bonds link mol-ecules, forming chains along the b axis.
在标题化合物C₈H₁₀ClN₃O₂S中，恶二嗪烷环呈沙发式构象，环上的O原子偏离其余五个原子的最佳平面0.636 (2) Å。在由亚甲基桥连的两个分子片段之间观察到一个短的分子内C-S⋯O=C接触 [S⋯O 3.122 (2) Å，C-S⋯O 80.0 (2)°]。在晶体中，C-H⋯O氢键连接分子，沿b轴形成链状结构。
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