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2-（4-溴苯氧基）-3-异丙基-5,6,7,8-四氢-1-苯并噻吩并[2,3-d]嘧啶-4（3H）-酮

2-(4-Bromo-phen-oxy)-3-isopropyl-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one.

作者信息

Wang Hong-Mei, Chen Li-Li, Hu Ting, Zeng Xiao-Hua

机构信息

Department of Medicinal Chemistry, Yunyang Medical College, Shiyan 442000, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2404. doi: 10.1107/S160053680803732X.

DOI:10.1107/S160053680803732X
PMID:21581373
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960130/
Abstract

In the title compound, C(19)H(19)BrN(2)O(2)S, the central thieno-pyrim-idine ring system is essentially planar, with a maximum displacement of 0.068 (3) Å. The attached cyclo-hexene ring adopts a half-chair conformation. The molecular conformation and crystal packing are stabilized by three intra-molecular C-H⋯O hydrogen bonds and two C-H⋯π inter-actions.

摘要

在标题化合物C₁₉H₁₉BrN₂O₂S中，中心噻吩并嘧啶环系基本呈平面状，最大位移为0.068 (3) Å。相连的环己烯环呈半椅式构象。分子构象和晶体堆积通过三个分子内C—H⋯O氢键和两个C—H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19e7/2960130/63d91e4876bb/e-64-o2404-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19e7/2960130/63d91e4876bb/e-64-o2404-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19e7/2960130/63d91e4876bb/e-64-o2404-fig1.jpg

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