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9 - （甲基 - 硫烷基）吖啶三氟甲磺酸盐

9-(Methyl-sulfan-yl)acridinium trifluoro-methane-sulfonate.

作者信息

Zadykowicz Beata, Trzybiński Damian, Sikorski Artur, 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. 2009 Feb 21;65(Pt 3):o566-7. doi: 10.1107/S1600536809004978.

DOI:10.1107/S1600536809004978
PMID:21582222
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968655/
Abstract

In the crystal structure of the title compound, C(14)H(12)NS(+)·CF(3)SO(3) (-), N-H⋯O hydrogen bonds link cations and anions into ion pairs. Inversely oriented ion pairs form stacks through multidirectional π-π inter-actions among the acridine units. The crystal structure features a network of C-H⋯O inter-actions among stacks and also long-range electrostatic inter-actions among ions. In the packing of the mol-ecules, the acridine units are nearly parallel in stacks or inclined at an angle of 33.07 (2)° in the four adjacent stacks with which they inter-act via weak C-H⋯O inter-actions. The methyl-sulfanyl group is twisted through an angle of 60.53 (2)° with respect to the acridine ring.

摘要

在标题化合物C(14)H(12)NS(+)·CF(3)SO(3) (-)的晶体结构中，N - H⋯O氢键将阳离子和阴离子连接成离子对。反向排列的离子对通过吖啶单元之间的多方向π - π相互作用形成堆积。晶体结构的特征是堆积之间存在C - H⋯O相互作用网络以及离子之间的长程静电相互作用。在分子堆积中，吖啶单元在堆积中几乎平行，或者在通过弱C - H⋯O相互作用与其相互作用的四个相邻堆积中倾斜33.07 (2)°角。甲硫基相对于吖啶环扭转了60.53 (2)°角。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/3cce3b4a5343/e-65-0o566-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/0a20aa37b289/e-65-0o566-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/0260680ca941/e-65-0o566-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/3cce3b4a5343/e-65-0o566-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/0a20aa37b289/e-65-0o566-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/0260680ca941/e-65-0o566-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7c8/2968655/3cce3b4a5343/e-65-0o566-fig3.jpg

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