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9 -(2 - 乙基 - 苯氧基 - 羰基)- 10 - 甲基 - 吖啶三氟甲烷磺酸盐

9-(2-Ethyl-phenoxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

作者信息

Trzybiński Damian, Krzymiński Karol, Sikorski Artur, Malecha Piotr, 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 Mar 13;66(Pt 4):o826-7. doi: 10.1107/S1600536810008950.

DOI:10.1107/S1600536810008950
PMID:21580656
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2984008/
Abstract

In the crystal structure of the title compound, C(23)H(20)NO(2) (+)·CF(3)SO(3) (-), the cations form inversion dimers through π-π inter-actions between the acridine ring systems. These dimers are further linked by C-H⋯π inter-actions. The cations and anions are connected by C-H⋯O and C-F⋯π inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 20.8 (1)°. The carboxyl group is twisted at an angle of 66.2 (1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are parallel in the lattice.

摘要

在标题化合物C(23)H(20)NO(2) (+)·CF(3)SO(3) (-)的晶体结构中,阳离子通过吖啶环系统之间的π-π相互作用形成反演二聚体。这些二聚体通过C-H⋯π相互作用进一步连接。阳离子和阴离子通过C-H⋯O和C-F⋯π相互作用相连。吖啶和苯环系统以20.8 (1)°的二面角取向。羧基相对于吖啶骨架扭转了66.2 (1)°的角度。相邻吖啶单元的平均平面在晶格中是平行的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a597/2984008/d968b33ae1e5/e-66-0o826-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a597/2984008/c4b13744e7ad/e-66-0o826-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a597/2984008/d968b33ae1e5/e-66-0o826-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a597/2984008/c4b13744e7ad/e-66-0o826-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a597/2984008/d968b33ae1e5/e-66-0o826-fig2.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
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9-(2,6-Difluorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-difluorophenyl acridine-9-carboxylate: C-H...O, C-F...pi, S-O...pi and pi-pi stacking interactions.
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2-Ethylphenyl acridine-9-carboxylate and 2,5-dimethylphenyl acridine-9-carboxylate.2-乙基苯基吖啶-9-羧酸酯和2,5-二甲基苯基吖啶-9-羧酸酯。
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Experimental electron density study of the supramolecular aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90 K.
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Toward an Understanding of the Chemiluminescence Accompanying the Reaction of 9-Carboxy-10-methylacridinium Phenyl Ester with Hydrogen Peroxide.关于对9-羧基-10-甲基吖啶苯基酯与过氧化氢反应所伴随的化学发光的理解。
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