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4,6-二氯-5-甲基嘧啶的晶体结构

Crystal structure of 4,6-di-chloro-5-methyl-pyrimidine.

作者信息

Medjani Meriem, Hamdouni Noudjoud, Brihi Ouarda, Boudjada Ali, Meinnel Jean

机构信息

Laboratory of Crystallography, Department of Physics, University Mentouri Brothers Constantine, 25000 Constantine, Algeria.

UMR 6226 CNRS University of Rennes 1 'Chemical Sciences Rennes', 'Team Systems and Synthetic Condensed Electroactive', 263 Avenue du General Leclerc, F-35042 Rennes, France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 19;71(Pt 12):o1073-4. doi: 10.1107/S2056989015024020. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015024020
PMID:26870504
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719985/
Abstract

The title compound, C5H4Cl2N2, is essentially planar with an r.m.s. deviation for all non-H atoms of 0.009 Å. The largest deviation from the mean plane is 0.016 (4) Å for an N atom. In the crystal, mol-ecules are linked by pairs of C-H⋯N hydrogen bonds, forming inversion dimers, enclosing an R (2) 2(6) ring motif.

摘要

标题化合物C₅H₄Cl₂N₂基本呈平面结构,所有非氢原子的均方根偏差为0.009 Å。一个氮原子偏离平均平面的最大偏差为0.016(4) Å。在晶体中,分子通过成对的C—H⋯N氢键相连,形成反演二聚体,包围着一个R(2)2(6)环 motif。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/010d/4719985/9112fa69beb2/e-71-o1073-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/010d/4719985/6fe87d0caf66/e-71-o1073-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/010d/4719985/9112fa69beb2/e-71-o1073-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/010d/4719985/6fe87d0caf66/e-71-o1073-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/010d/4719985/9112fa69beb2/e-71-o1073-fig2.jpg

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