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10-甲基-9-[2-(丙烷-2-基)苯氧基羰基]-吖啶三氟甲烷磺酸盐

10-Methyl-9-[2-(propan-2-yl)phenoxy-carbonyl]-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):o2773-4. doi: 10.1107/S160053681003953X.

DOI:10.1107/S160053681003953X
PMID:21588973
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009101/
Abstract

In the crystal of the title compound, C(24)H(22)NO(2) (+)·CF(3)SO(3) (-), adjacent cations and anions are connected through C-H⋯O, C-H⋯F and S-O⋯π inter-actions, while neighboring cations via π-π inter-actions [centroid-centroid distance = 3.962 (2) Å]. The acridine and benzene ring systems are oriented at a dihedral angle of 14.6 (1)°. The carboxyl group is twisted at an angle of 87.6 (1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are parallel or inclined at an angle of 13.4 (1)° in the crystal structure.

摘要

在标题化合物C(24)H(22)NO(2) (+)·CF(3)SO(3) (-)的晶体中，相邻的阳离子和阴离子通过C-H⋯O、C-H⋯F和S-O⋯π相互作用相连，而相邻的阳离子则通过π-π相互作用相连[质心-质心距离 = 3.962 (2) Å]。吖啶和苯环体系以14.6 (1)°的二面角取向。羧基相对于吖啶骨架扭转了87.6 (1)°。在晶体结构中，相邻吖啶单元的平均平面平行或倾斜13.4 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5751/3009101/b812af2802d0/e-66-o2773-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5751/3009101/a766c75c9375/e-66-o2773-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5751/3009101/b812af2802d0/e-66-o2773-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5751/3009101/a766c75c9375/e-66-o2773-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5751/3009101/b812af2802d0/e-66-o2773-fig2.jpg

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A short history of SHELX.SHELX简史。
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