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N-{3-[2-(4-氟苯氧基)乙基]-2,4-二氧代-1,3-二氮杂螺[4.5]癸烷-7-基}-4-甲氧基苯磺酰胺

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-meth-oxy-benzene-sulfonamide.

作者信息

Vinduvahini M, Jeyaseelan S, Shylajakumari J, Revanasiddappa H D, Devaru Venkatesh B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o194-5. doi: 10.1107/S1600536811053980. Epub 2011 Dec 21.

DOI:10.1107/S1600536811053980
PMID:22259477
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3254531/
Abstract

In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26 (12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456 (19) Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56 (11) and 81.94 (12)°, respectively. The crystal structure displays N-H⋯O hydrogen bonds as well as weak inter-molecular C-H⋯O inter-actions.

摘要

在标题化合物C₂₃H₂₆FN₃O₆S中，两个末端芳环形成的二面角为49.26 (12)°。环己烷环呈椅式构象，五元环基本为平面结构，与平面的最大偏差为0.0456 (19) Å。五元环与甲氧基苯环和氟苯环之间的二面角分别为33.56 (11)°和81.94 (12)°。晶体结构显示存在N—H⋯O氢键以及弱的分子间C—H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c938/3254531/9ec980aecd5c/e-68-0o194-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c938/3254531/772fc32e20a9/e-68-0o194-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c938/3254531/9ec980aecd5c/e-68-0o194-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c938/3254531/772fc32e20a9/e-68-0o194-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c938/3254531/9ec980aecd5c/e-68-0o194-fig2.jpg

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