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9-O-丁基-小檗红碱溴化物

9-O-Butyl-berberrubinium bromide.

作者信息

Chen Zhu, Li Xue-Gang, Xie Yong-Sheng, Ye Xiao-Li

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1370. doi: 10.1107/S1600536809018388.

DOI:10.1107/S1600536809018388
PMID:21583219
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969731/
Abstract

In the title compound, C(23)H(24)NO(4) (+)·Br(-), the butyl chain is disordered between two conformations; the occupancies refined to 0.735 (7) and 0.265 (7). The dihedral angle between the naphthalene ring system and the phenyl ring is 11.6 (2)°. In the crystal structure, the cations are packed via π-π inter-actions into stacks propagating in the [010] direction. Weak inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds contribute further to the crystal packing stability.

摘要

在标题化合物C(23)H(24)NO(4)(+)·Br(-)中,丁基链在两种构象之间无序;占有率精修为0.735 (7)和0.265 (7)。萘环系统与苯环之间的二面角为11.6 (2)°。在晶体结构中,阳离子通过π-π相互作用堆积成沿[010]方向延伸的堆积柱。弱分子间C-H⋯O和C-H⋯Br氢键进一步有助于晶体堆积稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/848b/2969731/6fdef401ebe8/e-65-o1370-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/848b/2969731/6fdef401ebe8/e-65-o1370-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/848b/2969731/6fdef401ebe8/e-65-o1370-fig1.jpg

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