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2-(3,3-二丁基硫代脲基)-4,5,6,7-四氢苯并[b]噻吩-3-羧酸乙酯

Ethyl 2-(3,3-dibutyl-thio-ureido)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carboxyl-ate.

作者信息

Wang Hong-Mei, Xu Jing, Zeng Xiao-Hua, Tian Jia-Hua

机构信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 14;65(Pt 12):o3094-5. doi: 10.1107/S1600536809047230.

DOI:10.1107/S1600536809047230
PMID:21578823
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971811/
Abstract

In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo-hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond.

摘要

在标题化合物C₂₀H₃₂N₂O₂S₂中，环己烯环在两个半椅构象上无序，占有率因子为0.71:0.29。一条正丁基链也在两个位置上无序，占有率因子为0.83:0.17。分子构象通过分子内N-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b8e/2971811/933ea649fa4f/e-65-o3094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b8e/2971811/933ea649fa4f/e-65-o3094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b8e/2971811/933ea649fa4f/e-65-o3094-fig1.jpg

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