2-r-(4-Chloro-phen-yl)-6-c-phenyl-3,4,5,6-tetra-hydro-2H-thio-pyran-4-one 1-oxide.
2-r-(4-Chloro-phen-yl)-6-c-phenyl-3,4,5,6-tetra-hydro-2H-thio-pyran-4-one 1-oxide.
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DOI：
10.1107/s1600536808037355
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发表时间：
2008-11-20
期刊：
影响因子：
--
通讯作者：
Devanathan D
中科院分区：
文献类型：
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作者：
Thiruvalluvar A;Balamurugan S;Butcher RJ;Pandiarajan K;Devanathan D
标题分子C17 H15 ClO 2S的硫代吡喃单元为椅式。晶体镜平面将分子一分为二，穿过中心环的O=S和相对的C=O原子，Cl原子具有统计无序。S原子周围的几何构型为四面体，羰基C为平面。在2位的4-氯-N-苯基和在6位的苯环具有赤道取向。在晶体结构中发现了分子间C-H O和C-H Cl氢键。此外，存在一个短的O → C分子间接触[2.970（5）A].
The thiopyran unit of the title molecule, C17H15ClO2S, is in chair form. A crystallographic mirror plane bisects the molecule, passing through the O=S and the opposite C=O atoms of the central ring, with statistical disorder of the Cl atom. The geometry around the S atom is tetrahedral and the carbonyl C is planar. The 4-chlorophenyl group at the 2 position and the phenyl ring at the 6 position have equatorial orientations. Intermolecular C—H⋯O and C—H⋯Cl hydrogen bonds are found in the crystal structure. In addition, there is a short O⋯C intermolecular contact [2.970 (5) Å].