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4,4'-亚甲基二苯胺双(3-羧基-4-羟基苯磺酸盐)一水合物

4,4'-Methyl-enedianilinium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate) monohydrate.

作者信息

Du Guihuan, Liu Zuli, Chu Qian, Li Zhen, Zhang Suming

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 17;64(Pt 10):o1947-8. doi: 10.1107/S1600536808029115.

DOI:10.1107/S1600536808029115
PMID:21201152
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959445/
Abstract

Co-crystallization of 4,4'-methyl-enediphenyl-amine (MDA) and 5-sulfosalicylic acid (5-H(2)SSA) yields the title salt, C(13)H(16)N(2) (2+)·2C(7)H(5)O(6)S(-)·H(2)O. The asymmetric unit is comprised of one dication, two anions and one water mol-ecule. In the crystal structure, the components of the salt are linked by a combination of inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds into a three-dimensional framework. In addition, two weak π-π inter-actions [with centroid-centroid distances of 3.8734 (15) and 3.7465 (15) Å] and one C-H⋯π inter-action further stabilize the crystal structure.

摘要

4,4'-亚甲基二苯胺(MDA)与5-磺基水杨酸(5-H₂SSA)共结晶得到标题盐C₁₃H₁₆N₂²⁺·2C₇H₅O₆S⁻·H₂O。不对称单元由一个二价阳离子、两个阴离子和一个水分子组成。在晶体结构中,盐的组分通过分子间O-H⋯O、N-H⋯O和弱C-H⋯O氢键的组合连接成三维框架。此外,两个弱π-π相互作用[质心-质心距离分别为3.8734 (15) 和3.7465 (15) Å]和一个C-H⋯π相互作用进一步稳定了晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033f/2959445/6def3de68d2d/e-64-o1947-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033f/2959445/ce2762c8629a/e-64-o1947-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033f/2959445/6def3de68d2d/e-64-o1947-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033f/2959445/ce2762c8629a/e-64-o1947-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/033f/2959445/6def3de68d2d/e-64-o1947-fig2.jpg

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