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一水合氯化双{4-[(3,5-二甲基-1H-吡唑-4-基)硒基]-3,5-二甲基-1H-吡唑-2-鎓}

Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

作者信息

Seredyuk Maksym, Pavlenko Vadim A, Znovjyak Kateryna O, Gumienna-Kontecka Elzbieta, Penkova Larysa

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2068. doi: 10.1107/S1600536812025640. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025640
PMID:22807889
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393332/
Abstract

In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°. π-π stacking inter-actions are observed between the closest pyrazole rings of neighboring chains [centroid-centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O-H⋯Cl hydrogen bonds are formed.

摘要

在标题化合物2C₁₀H₁₅N₄Se⁺·Cl⁻·OH⁻中，有机硒化物的单质子化分子与相邻分子形成氢键，沿[001]方向形成锯齿链。该分子采用顺式桥连模式，C-Se-C角为102.13 (15)°。在相邻链的最邻近吡唑环之间观察到π-π堆积相互作用[质心-质心距离 = 3.888 (1) Å]，并且通过桥连氯离子和氢氧根离子发生氢键作用。此外，还形成了O-H⋯Cl氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7684/3393332/0b1290a4e89e/e-68-o2068-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7684/3393332/eb737fed526a/e-68-o2068-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7684/3393332/0b1290a4e89e/e-68-o2068-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7684/3393332/eb737fed526a/e-68-o2068-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7684/3393332/0b1290a4e89e/e-68-o2068-fig2.jpg

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