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4-苄基氨基甲酰基-1-甲基吡啶碘化物的晶体结构:一种高效的多模式抗病毒药物。

Crystal structure of 4-benzyl-carbamoyl-1-methyl-pyridin-1-ium iodide: an efficient multimodal anti-viral drug.

作者信息

Drebushchak T N, Kryukov Yu A, Rogova A I, Boldyreva E V

机构信息

Institute of Solid State Chemistry and Mechanochemistry, SB RAS, ul. Kutateladze 18, Novosibirsk 630128, Russian Federation.

Novosibirsk State University, ul. Pirogova 2, Novosibirsk 630090, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jun 7;73(Pt 7):967-970. doi: 10.1107/S2056989017008155. eCollection 2017 Jul 1.

DOI:10.1107/S2056989017008155
PMID:28775862
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5499270/
Abstract

In the title compound, [CHNCONHCHCH]I or CHNO·I, a cation and an anion form an ionic pair linked by a strong N-H⋯I hydrogen bond. In the crystal, ionic pairs linked by weak C-H⋯I hydrogen bonds form infinite ribbons along the crystallographic axis. Polymorphism screening varying crystallization solvents (water, acetone 90%-water, ethanol 90%-water, 2-propanol 90%-water, DMF, DMSO, methanol, aceto-nitrile) and conditions (solution temperature, heating and cooling protocols) did not reveal any other polymorphs than the one reported in this work.

摘要

在标题化合物[CHNCONHCHCH]I或CHNO·I中,一个阳离子和一个阴离子通过强N-H⋯I氢键形成离子对。在晶体中,通过弱C-H⋯I氢键连接的离子对沿晶轴形成无限长链。通过改变结晶溶剂(水、90%丙酮-水、90%乙醇-水、90%异丙醇-水、N,N-二甲基甲酰胺、二甲基亚砜、甲醇、乙腈)和条件(溶液温度、加热和冷却程序)进行多晶型筛选,未发现除本工作报道的多晶型物以外的任何其他多晶型物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/f2a92531a4cc/e-73-00967-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/0a0e70313173/e-73-00967-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/3e765e9c439f/e-73-00967-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/b44cbfa5ee21/e-73-00967-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/4188a9a24adb/e-73-00967-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/f2a92531a4cc/e-73-00967-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/0a0e70313173/e-73-00967-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/3e765e9c439f/e-73-00967-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/b44cbfa5ee21/e-73-00967-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/4188a9a24adb/e-73-00967-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19eb/5499270/f2a92531a4cc/e-73-00967-fig5.jpg

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