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6'-（1,3-二苯基-1H-吡唑-4-基）-7'-（1H-吲哚-3-羰基）-2-氧代-1-（丙烯-1-基）-5',6',7',7a'-四氢-1'H-螺[吲哚啉-3,5'-吡咯并[1,2-c][1,3]噻唑]-7'-甲腈

6'-(1,3-Diphenyl-1H-pyrazol-4-yl)-7'-(1H-indol-3-ylcarbon-yl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetra-hydro-1'H-spiro-[indoline-3,5'-pyrrolo-[1,2-c][1,3]thia-zole]-7'-carbo-nitrile.

作者信息

Kannan Piskala Subburaman, Kathirvelan Devaraj, Reddy Boreddy Siva Rami, Govindan Elumalai, Subbiahpandi Arunachalathevar

机构信息

Department of Physics, S.M.K. Fomra Institute of Technology, Thaiyur, Chennai 603 103, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69(Pt 6):o857-8. doi: 10.1107/S1600536813011513. Print 2013 Jun 1.

DOI:10.1107/S1600536813011513
PMID:23795041
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3684939/
Abstract

In the title compound, C41H32N6O2S, the pyrrolo-thia-zole ring system is folded about the bridging N-C bond. The thia-zolidine and pyrrolidine rings adopt envelope (with the fused C atom as the flap) and twisted conformations, respectively. The two phenyl rings attached to the pyrazole ring are twisted from the plane of the latter by 6.8 (1) and 52.8 (1)°. The allyl group is disordered over two conformations in a 0.805 (6):0.195 (6) ratio. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

摘要

在标题化合物C₄₁H₃₂N₆O₂S中，吡咯并噻唑环系围绕桥连的N-C键折叠。噻唑烷环和吡咯烷环分别采用信封式构象（以稠合的C原子为瓣）和扭曲构象。连接到吡唑环上的两个苯环相对于后者的平面扭转了6.8 (1)°和52.8 (1)°。烯丙基以0.805 (6):0.195 (6)的比例无序地存在于两种构象中。在晶体中，N-H⋯O氢键对将分子连接成中心对称的二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f360/3684939/a40cc1033685/e-69-0o857-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f360/3684939/a40cc1033685/e-69-0o857-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f360/3684939/a40cc1033685/e-69-0o857-fig1.jpg

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