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4-(9-蒽基)-1-(2-甲氧基苯基)螺[氮杂环丁烷-3,9'-呫吨]-2-酮

4-(9-Anthr-yl)-1-(2-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

作者信息

Yalçın Serife Pınar, Akkurt Mehmet, Jarrahpour Aliasghar, Ebrahimi Edris, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o626-7. doi: 10.1107/S1600536809005200.

DOI:10.1107/S1600536809005200
PMID:21582278
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968572/
Abstract

The stabilized conformation of the title compound, C(36)H(25)NO(3), 4-(9-anthryl)-1-(2-methoxyphenyl)-spiro[azetid-in-3,9'-xanthen]-2-one, may be compared with that of the isomeric compound 4-(9-anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one. In the title isomer, the meth-oxy group is slightly twisted out of the plane of the attached benzene ring, with a C-O-C-C torsion angle of 31.5 (2)°. Its β-lactam ring is essentially planar, with a maximum deviation of -0.021 (1) Å. The β-lactam ring makes dihedral angles of 18.815 (9), 83.33 (7) and 53.62 (8)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. The structure is stabilized by C-H⋯π, C-H⋯N and C-H⋯O inter-actions.

摘要

标题化合物C(36)H(25)NO(3),即4-(9-蒽基)-1-(2-甲氧基苯基)-螺[氮杂环丁烷-3,9'-呫吨]-2-酮的稳定构象,可与异构体化合物4-(9-蒽基)-1-(4-甲氧基苯基)螺[氮杂环丁烷-3,9'-呫吨]-2-酮的构象进行比较。在标题异构体中,甲氧基略微扭曲出相连苯环的平面,C-O-C-C扭转角为31.5 (2)°。其β-内酰胺环基本呈平面状,最大偏差为-0.021 (1) Å。β-内酰胺环与苯、呫吨和蒽环系统的平均平面分别形成18.815 (9)°、83.33 (7)°和53.62 (8)°的二面角。该结构通过C-H⋯π、C-H⋯N和C-H⋯O相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7c8/2968572/f674fbffb103/e-65-0o626-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7c8/2968572/1bf2d4c4a02d/e-65-0o626-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7c8/2968572/f674fbffb103/e-65-0o626-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7c8/2968572/1bf2d4c4a02d/e-65-0o626-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7c8/2968572/f674fbffb103/e-65-0o626-fig2.jpg

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本文引用的文献

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2
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A short history of SHELX.
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