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9-(4-氟-苯-氧-羰基)-10-甲基-吖啶三氟甲烷磺酸盐

9-(4-Fluoro-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

作者信息

Trzybiński Damian, Krzymiński Karol, Błażejowski Jerzy

机构信息

Faculty of Chemistry, University of Gdańsk, J. Sobieskiego 18, 80-952 Gdańsk, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 9;66(Pt 11):o2769-70. doi: 10.1107/S1600536810039231.

DOI:10.1107/S1600536810039231
PMID:21588971
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009336/
Abstract

In the crystal structure of the title compound, C(21)H(15)FNO(2) (+)·CF(3)SO(3) (-), the cations form inversion dimers through C-H⋯O, C-F⋯π and π-π inter-actions. These dimers are further linked by π-π inter-actions. The cations and anions are connected through C-H⋯O, C-F⋯π and S-O⋯π inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 74.1 (1)°. The carboxyl-ate group is twisted at an angle of 4.4 (1)° relative to the acridine skeleton. The mean planes of the adjacent acridine moieties are parallel or inclined at an angle of 55.4 (1)° in the crystal structure.

摘要

在标题化合物C(21)H(15)FNO(2) (+)·CF(3)SO(3) (-)的晶体结构中,阳离子通过C-H⋯O、C-F⋯π和π-π相互作用形成反转二聚体。这些二聚体通过π-π相互作用进一步连接。阳离子和阴离子通过C-H⋯O、C-F⋯π和S-O⋯π相互作用相连。吖啶和苯环体系以74.1 (1)°的二面角取向。羧酸根基团相对于吖啶骨架扭转了4.4 (1)°。在晶体结构中,相邻吖啶部分的平均平面平行或倾斜55.4 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/78f5/3009336/1373dfcbeb92/e-66-o2769-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/78f5/3009336/5c45b9ad20b2/e-66-o2769-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/78f5/3009336/1373dfcbeb92/e-66-o2769-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/78f5/3009336/5c45b9ad20b2/e-66-o2769-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/78f5/3009336/1373dfcbeb92/e-66-o2769-fig2.jpg

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