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4'-(4-氯苯基)-3'-(4-甲氧基苯基)-3,4-二氢-1H,4'H-螺[吖啶-2,5'-异恶唑]-1-酮

4'-(4-Chloro-phen-yl)-3'-(4-meth-oxy-phen-yl)-3,4-dihydro-1H,4'H-spiro-[acridine-2,5'-isoxazol]-1-one.

作者信息

Narayanan Ponmudisettu, Maheswari Shanmugavel Uma, Sethusankar Krishnan

机构信息

Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3177. doi: 10.1107/S1600536812042523. Epub 2012 Oct 20.

DOI:10.1107/S1600536812042523
PMID:23284490
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3515270/
Abstract

In the title compound, C(28)H(21)ClN(2)O(3), the quinoline ring system is essentially planar with a maximum deviation of 0.0436 (17) Å. The isoxazole and cyclo-hexane rings adopt envelope conformations. The isoxazole ring is almost orthogonal to both the quinoline ring system and the cyclo-hexane ring, making dihedral angles of 85.75 (8) and 81.46 (9) °, respectively. The O atom deviates signifigantly from the six-membered carbocyclic ring by 0.3947 (16) Å. In the crystal, mol-ecules are linked into inversion dimers via pairs of C-H⋯O inter-actions, resulting in R(2) (2)(24) ring motifs.

摘要

在标题化合物C(28)H(21)ClN(2)O(3)中，喹啉环系基本呈平面状，最大偏差为0.0436 (17) Å。异恶唑环和环己烷环呈信封式构象。异恶唑环与喹啉环系和环己烷环几乎均呈正交，二面角分别为85.75 (8)°和81.46 (9)°。O原子与六元碳环显著偏离0.3947 (16) Å。在晶体中，分子通过成对的C—H⋯O相互作用连接成反演二聚体，形成R(2) (2)(24)环模式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc19/3515270/52ebbfdc9e06/e-68-o3177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc19/3515270/a7b106159d4f/e-68-o3177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc19/3515270/52ebbfdc9e06/e-68-o3177-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc19/3515270/a7b106159d4f/e-68-o3177-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dc19/3515270/52ebbfdc9e06/e-68-o3177-fig2.jpg

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本文引用的文献

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