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3,5-双（4-甲氧基苯基）-4,5-二氢异恶唑

3,5-Bis(4-meth-oxy-phen-yl)-4,5-dihydro-isoxazole.

作者信息

Samshuddin S, Butcher Ray J, Akkurt Mehmet, Narayana B, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1975-6. doi: 10.1107/S1600536811026833. Epub 2011 Jul 9.

DOI:10.1107/S1600536811026833
PMID:22091013
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213434/
Abstract

In the title compound, C(17)H(17)NO(3), the five-membered isoxazoline ring adopts an envelope conformation with the chiral C atom at the flap position and 0.133 (2) Å out of the mean plane formed by the other four atoms. The two benzene rings form dihedral angles of 6.05 (5) and 81.52 (5)° with the C-C-N-O plane of the isoxazoline ring. The crystal structure is stabilized by weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

摘要

在标题化合物C(17)H(17)NO(3)中，五元异恶唑啉环呈信封式构象，手性碳原子位于折叶位置，偏离由其他四个原子形成的平均平面0.133 (2) Å。两个苯环与异恶唑啉环的C-C-N-O平面形成的二面角分别为6.05 (5)°和81.52 (5)°。晶体结构通过弱C-H⋯O氢键和C-H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c742/3213434/b3c19e8bcf96/e-67-o1975-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c742/3213434/0680034b38e7/e-67-o1975-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c742/3213434/b3c19e8bcf96/e-67-o1975-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c742/3213434/0680034b38e7/e-67-o1975-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c742/3213434/b3c19e8bcf96/e-67-o1975-fig2.jpg

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