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二苦味酸曲普利啶

Triprolidinium dipicrate.

作者信息

Dayananda A S, Jasinski Jerry P, Golen James A, Yathirajan H S, Raju C R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2502. doi: 10.1107/S160053681103457X. Epub 2011 Aug 27.

Abstract

In the tripodinium cation of the title compound {systematic name: 2-[(E)-1-(4-methyl-phen-yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-yl]pyridinium bis-(2,4,6-trinitro-phenolate)}, C(19)H(24)N(2) (+)·2C(6)H(2)N(3)O(7) (-), the N atoms on both the pyrrolidine and pyridinium groups are protonated. The pyrrolidine group adopts a slightly distorted envelope configuration. Strong N-H⋯O cation-anion hydrogen bonds and weak inter-molecular N-H⋯O inter-actions link the dication and two anions. In both picrate anions, the nitro groups display rotational disorder over two orientations in a 0.605 (6):0.395 (6) ratio. The crystal packing also features weak inter-molecular π-π [centroid-centroid distance = 3.8036 (14) Å] and C-H⋯O inter-actions.

摘要

在标题化合物{系统名称:2-[(E)-1-(4-甲基苯基)-3-(吡咯烷-1-鎓-1-基)丙-1-烯基]吡啶鎓双(2,4,6-三硝基苯酚盐)}的三蝶啶阳离子C(19)H(24)N(2) (+)·2C(6)H(2)N(3)O(7) (-)中,吡咯烷和吡啶鎓基团上的N原子均被质子化。吡咯烷基团呈略微扭曲的信封构型。强的N-H⋯O阳离子-阴离子氢键和弱的分子间N-H⋯O相互作用将二价阳离子与两个阴离子连接起来。在两个苦味酸盐阴离子中,硝基在两种取向上呈现旋转无序,比例为0.605 (6):0.395 (6)。晶体堆积还具有弱的分子间π-π[质心-质心距离 = 3.8036 (14) Å]和C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f815/3200727/b34146a02a18/e-67-o2502-fig1.jpg

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引用本文的文献

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