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2-[2-(4-甲氧基苯基)-2,3-二氢-1H-1,5-苯并二氮杂䓬-4-基]苯酚

2-[2-(4-Methoxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenol.

作者信息

Bibila Mayaya Bisseyou Yvon, Adjou Ané, Yapo Yapi Marcellin, Bany Guy Euloge, Kakou-Yao R C A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 9;66(Pt 1):o87-8. doi: 10.1107/S1600536809052258.

DOI:10.1107/S1600536809052258
PMID:21580184
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980025/
Abstract

In the structure of title compound, C(22)H(20)O(2)N(2), the 11-membered benzodiazepine ring system adopts a distorted boat conformation. The benzene ring of this system forms dihedral angles of 89.69 (12) and 48.82 (12)° with those of the phenol and methoxy-phenyl substituents, respectively. The dihedral angle between the benzene rings is 49.61 (11)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring.

摘要

在标题化合物C₂₂H₂₀O₂N₂的结构中，11元苯并二氮杂䓬环系呈扭曲的船式构象。该环系的苯环与苯酚和甲氧基苯基取代基的苯环分别形成89.69 (12)°和48.82 (12)°的二面角。苯环之间的二面角为49.61 (11)°。分子内O—H⋯N氢键形成一个S(6)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d77f/2980025/d93735197f59/e-66-00o87-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d77f/2980025/d93735197f59/e-66-00o87-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d77f/2980025/d93735197f59/e-66-00o87-fig1.jpg

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