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2-[(4-羟基-苯基)重氮基]-苯甲酸-N,N'-双-(4-吡啶甲基)草酰胺(2/1)

2-[(4-Hydroxy-phen-yl)diazen-yl]benzoic acid-N,N'-bis-(4-pyridylmeth-yl)oxamide (2/1).

作者信息

Arman Hadi D, Miller Tyler, Poplaukhin Pavel, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3178-9. doi: 10.1107/S1600536809049228.

DOI:10.1107/S1600536809049228
PMID:21578892
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971824/
Abstract

The asymmetric unit of the title co-crystal, 2C(13)H(10)N(2)O(3)·C(14)H(14)N(4)O(2), comprises one mol-ecule of 2-(4-hydroxy-phenyl-diazen-yl)benzoic acid and half of an N,N'-bis-(4-pyridylmeth-yl)oxamide mol-ecule as the latter is disposed about an inversion centre. The most notable feature of the crystal structure is the formation of supra-molecular chains arising from hydr-oxy-pyridine O-H⋯N contacts and amide-hydr-oxy C-H⋯O contacts. These give rise to 40-membered {⋯OH⋯NNC(4)OH⋯NC(4)NC(2)NH}(2) synthons, generating supra-molecular chains along [01]. The chains are connected into a two-dimensional array via C-H⋯π inter-actions. Layers, with a step-ladder topology, are consolidated into the crystal structure via further C-H⋯π inter-actions.

摘要

标题共晶体2C₁₃H₁₀N₂O₃·C₁₄H₁₄N₄O₂的不对称单元包含一个2-(4-羟基苯基重氮基)苯甲酸分子和半个N,N'-双(4-吡啶甲基)草酰胺分子,因为后者位于一个对称中心周围。晶体结构最显著的特征是由羟基-吡啶O-H⋯N接触和酰胺-羟基C-H⋯O接触形成的超分子链。这些形成了40元{⋯OH⋯NNC₄OH⋯NC₄NC₂NH}(₂)合成子,沿[01]方向生成超分子链。这些链通过C-H⋯π相互作用连接成二维阵列。具有阶梯状拓扑结构的层通过进一步的C-H⋯π相互作用巩固到晶体结构中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/3627049797cd/e-65-o3178-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/ab4c1d0c05cd/e-65-o3178-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/f580aaca1c20/e-65-o3178-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/43b424841321/e-65-o3178-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/c26553c3d05e/e-65-o3178-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/3627049797cd/e-65-o3178-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/ab4c1d0c05cd/e-65-o3178-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/f580aaca1c20/e-65-o3178-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/43b424841321/e-65-o3178-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/c26553c3d05e/e-65-o3178-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8598/2971824/3627049797cd/e-65-o3178-fig5.jpg

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引用本文的文献

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本文引用的文献

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The role of cocrystals in pharmaceutical science.共晶在药物科学中的作用。
Drug Discov Today. 2008 May;13(9-10):440-6. doi: 10.1016/j.drudis.2008.03.004. Epub 2008 Apr 22.
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A short history of SHELX.SHELX简史。
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