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2,2'-(二硫代二亚基)二苯甲酸-2,9-二甲基-菲咯啉-四氢呋喃(1/2/1)

2,2'-(Disulfanedi-yl)dibenzoic acid-2,9-dimethyl-phenanthroline-tetra-hydro-furan (1/2/1).

作者信息

Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 25;66(Pt 10):o2602. doi: 10.1107/S1600536810037165.

DOI:10.1107/S1600536810037165
PMID:21587579
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983249/
Abstract

The asymmetric unit of the title co-crystal solvate, C(14)H(10)O(4)S(2)·2C(14)H(12)N(2)·C(4)H(8)O, comprises a 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule, two mol-ecules of 2,9-dimethyl-phenanthroline and a tetra-hydro-furan (THF) solvent mol-ecule. Each end of the twisted diacid [dihedral angle between the benzene rings = 74.33 (17)°] forms a strong O-H⋯N hydrogen bond with a 2,9-dimethyl-phenanthroline mol-ecule, forming a trimeric aggregate. The crystal structure comprises layers of acid and THF mol-ecules, and layers of 2,9-dimethyl-phenanthroline mol-ecules that alternate along the a axis, the main connections between them being of the type C-H⋯O.

摘要

标题共晶溶剂化物C(14)H(10)O(4)S(2)·2C(14)H(12)N(2)·C(4)H(8)O的不对称单元包含一个2,2'-(二硫烷二基)二苯甲酸分子、两个2,9-二甲基菲咯啉分子和一个四氢呋喃(THF)溶剂分子。扭曲二酸[苯环之间的二面角 = 74.33 (17)°]的每个末端与一个2,9-二甲基菲咯啉分子形成强O-H⋯N氢键,形成三聚体聚集体。晶体结构由酸和THF分子层以及2,9-二甲基菲咯啉分子层沿a轴交替组成,它们之间的主要连接类型为C-H⋯O。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/16fb9fa744f4/e-66-o2602-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/41749df027db/e-66-o2602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/1afc89399834/e-66-o2602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/758655887160/e-66-o2602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/2dd76dc9fc33/e-66-o2602-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/16fb9fa744f4/e-66-o2602-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/41749df027db/e-66-o2602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/1afc89399834/e-66-o2602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/758655887160/e-66-o2602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/2dd76dc9fc33/e-66-o2602-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67ef/2983249/16fb9fa744f4/e-66-o2602-fig5.jpg

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2
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Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 27;66(Pt 3):o705. doi: 10.1107/S1600536810006781.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.