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4-氯-硒基-3,5-二乙基-1H-吡唑-2-鎓氯化物

4-Chloro-selanyl-3,5-diethyl-1H-pyrazol-2-ium chloride.

作者信息

Seredyuk Maksym, Znovjyak Kateryna O, Sliva Tetyana Yu, Haukka Matti, Fritsky Igor O

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3083. doi: 10.1107/S1600536811043790. Epub 2011 Oct 29.

DOI:10.1107/S1600536811043790
PMID:22220089
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247471/
Abstract

In the cation of the title compound, C(7)H(12)ClN(2)Se(+)·Cl(-), the ethyl-ene groups and the Se-Cl fragment adopt a cis configuration with a C-Se-Cl angle of 96.09 (6)°. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link two cations and two chlorine anions into centrosymmetric clusters. π-π inter-actions between the pyrazole rings [centroid-centroid distance of 3.530 (2) Å] link these clusters into columns along [001] with short inter-molecular Se⋯Cl(-) contacts of 2.995 (1) Å.

摘要

在标题化合物C₇H₁₂ClN₂Se⁺·Cl⁻的阳离子中，乙烯基和Se-Cl片段呈顺式构型，C-Se-Cl角为96.09 (6)°。在晶体中，分子间的N-H⋯Cl氢键将两个阳离子和两个氯阴离子连接成中心对称的簇。吡唑环之间的π-π相互作用[质心-质心距离为3.530 (2) Å]将这些簇沿[001]方向连接成柱，分子间Se⋯Cl⁻的短接触距离为2.995 (1) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb79/3247471/79e65a983230/e-67-o3083-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb79/3247471/79e65a983230/e-67-o3083-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb79/3247471/79e65a983230/e-67-o3083-fig1.jpg

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