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2-[2-(1H-咪唑-3-鎓-5-基)乙基]-3-(吡啶-2-基)-2H-咪唑并[1,5-a]吡啶-4-鎓 双(高氯酸盐)

2-[2-(1H-Imidazol-3-ium-5-yl)eth-yl]-3-(pyridin-2-yl)-2H-imidazo[1,5-a]pyridin-4-ium bis-(perchlorate).

作者信息

Türkyılmaz Murat, Baran Yakup, Ozdemir Namık

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1282. doi: 10.1107/S1600536811015625. Epub 2011 Apr 29.

DOI:10.1107/S1600536811015625
PMID:21754563
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089310/
Abstract

In the title mol-ecular salt, C(17)H(17)N(5) (+)·2ClO(4) (-), the dihedral angles between the fused-ring system and the pendant five- and six-membered heterocyclic rings are 6.4 (2) and 41.29 (19)°, respectively. The O atoms of both perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.614 (8):0.386 (8) and 0.591 (7):0.409 (7). An intra-molecular C-H⋯N contact occurs in the cation. In the crystal, the components are linked by N-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid separation = 3.642 (3) Å].

摘要

在标题分子盐C(17)H(17)N(5)(+)·2ClO(4)(-)中，稠环体系与悬挂的五元及六元杂环之间的二面角分别为6.4 (2)°和41.29 (19)°。两个高氯酸根阴离子的O原子在两组位置上无序分布，占有率分别为0.614 (8):0.386 (8)和0.591 (7):0.409 (7)。阳离子中存在分子内C-H⋯N接触。在晶体中，各组分通过N-H⋯O和C-H⋯O氢键以及π-π堆积相互作用相连[质心-质心间距 = 3.642 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec54/3089310/5b298acd3c86/e-67-o1282-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec54/3089310/5b298acd3c86/e-67-o1282-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec54/3089310/5b298acd3c86/e-67-o1282-fig1.jpg

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