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1-均三甲苯基-3-甲基-4-苯基-1H-1,2,3-三唑-3-碘化物的晶体结构

Crystal structure of 1-mesityl-3-methyl-4-phenyl-1H-1,2,3-triazol-3-ium iodide.

作者信息

Canseco-González Daniel, García Juventino J, Flores-Alamo Marcos

机构信息

Facultad de Química, Universidad Nacional Autónoma de México, Circuito Interior, Ciudad Universitaria, Mexico City, 04510, Mexico.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 12;71(Pt 12):o1041-2. doi: 10.1107/S2056989015023403. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015023403
PMID:26870488
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719969/
Abstract

In the cation of the title salt, C18H20N3 (+)·I(-), the mesityl and phenyl rings are inclined to the central triazolium ring by 61.39 (16) and 30.99 (16)°, respectively, and to one another by 37.75 (15)°. In the crystal, mol-ecules are linked via C-H⋯I hydrogen bonds, forming slabs parallel to the ab plane. Within the slabs there are weak π-π inter-actions present involving the mesityl and phenyl rings [inter-centroid distances are 3.8663 (18) and 3.8141 (18) Å].

摘要

在标题盐C₁₈H₂₀N₃⁺·I⁻的阳离子中，均三甲苯基环和苯基环分别与中心三唑鎓环呈61.39 (16)°和30.99 (16)°的倾斜角，且它们彼此之间呈37.75 (15)°的倾斜角。在晶体中，分子通过C—H⋯I氢键相连，形成平行于ab平面的层板。在层板内存在涉及均三甲苯基环和苯基环的弱π-π相互作用[质心间距分别为3.8663 (18) Å和3.8141 (18) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e81/4719969/7e7c6412aacc/e-71-o1041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e81/4719969/7e7c6412aacc/e-71-o1041-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8e81/4719969/7e7c6412aacc/e-71-o1041-fig1.jpg

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