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7'-（4-溴苯基）-5'，6'，7'，7a'-四氢-二螺-[茚满-2,5'-吡咯并-[1,2-c][1,3]噻唑-6',2''-茚满]-1,3,1''-三酮

7'-(4-Bromo-phen-yl)-5',6',7',7a'-tetra-hydro-dispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

作者信息

Wei Ang Chee, Ali Mohamed Ashraf, Yoon Yeong Keng, Quah Ching Kheng, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3274. doi: 10.1107/S1600536811046514. Epub 2011 Nov 12.

DOI:10.1107/S1600536811046514
PMID:22199780
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238931/
Abstract

In the title compound, C(28)H(20)BrNO(3)S, the thia-zolidine, pyrrolidine and two five-membered carbocyclic rings are in envelope conformations. The bromo-bound phenyl ring forms dihedral angles of 61.97 (18) and 88.30 (17)° with the other two benzene rings. The two benzene rings form a dihedral angle of 30.3 (2)°. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯O hydrogen bonds.

摘要

在标题化合物C₂₈H₂₀BrNO₃S中，噻唑烷、吡咯烷和两个五元碳环呈信封构象。与溴相连的苯环与另外两个苯环形成的二面角分别为61.97 (18)°和88.30 (17)°。两个苯环形成的二面角为30.3 (2)°。分子结构具有分子内C—H⋯O氢键，形成了S(6)环模式。在晶体中，分子通过成对的C—H⋯O氢键连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61de/3238931/e93190e52ffd/e-67-o3274-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61de/3238931/607b510b3eda/e-67-o3274-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61de/3238931/e93190e52ffd/e-67-o3274-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61de/3238931/607b510b3eda/e-67-o3274-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61de/3238931/e93190e52ffd/e-67-o3274-fig2.jpg

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