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2,4-双(2-甲氧基苯基)-3-氮杂双环-[3.3.1]壬烷-9-酮

2,4-Bis(2-methoxy-phenyl)-3-aza-bicyclo-[3.3.1]nonan-9-one.

作者信息

Parthiban P, Ramkumar V, Kim Min Sung, Son Se Mo, Jeong Yeon Tae

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1383. doi: 10.1107/S1600536809018686.

DOI:10.1107/S1600536809018686
PMID:21583231
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969524/
Abstract

In the title compound, C(22)H(25)NO(3), the mol-ecule has a pseudo-mirror plane. The structure is a positional isomer of 2,4-bis(4-methoxy-phenyl)-3-aza-bicyclo-[3.3.1]nonan-9-one [Cox, McCabe, Milne & Sim (1985 ▶). J. Chem. Soc. Chem. Commun. pp. 626-628]. The 3-aza-bicyclo-[3.3.1]nonan-9-one moiety adopts a double chair conformation with equatorial orientations of both 2-methoxy-phenyl substituents on either side of the secondary amino group. The benzene rings are oriented at an angle of 33.86 (4)° with respect to each other and the meth-oxy groups point towards the carbonyl group. The crystal structure is stabilized by intermolecular N-H⋯π inter-actions.

摘要

在标题化合物C₂₂H₂₅NO₃中，分子具有一个假镜面。该结构是2,4-双（4-甲氧基苯基）-3-氮杂双环-[3.3.1]壬烷-9-酮[考克斯、麦凯布、米尔恩和西姆（1985年）。《化学学会化学通讯》第626 - 628页]的位置异构体。3-氮杂双环-[3.3.1]壬烷-9-酮部分采用双椅式构象，仲氨基两侧的两个2-甲氧基苯基取代基均处于平伏取向。苯环彼此间的夹角为33.86（4）°，甲氧基指向羰基。晶体结构通过分子间N - H⋯π相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32de/2969524/192e750f0959/e-65-o1383-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32de/2969524/800c7ae0aa50/e-65-o1383-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32de/2969524/192e750f0959/e-65-o1383-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32de/2969524/800c7ae0aa50/e-65-o1383-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/32de/2969524/192e750f0959/e-65-o1383-fig2.jpg

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