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嘧啶-2-甲酰胺

Pyrimidine-2-carboxamide.

作者信息

Zhang Bing-Yu, Yang Qian, Nie Jing-Jing

机构信息

Department of Chemistry, Zhejiang University, Hangzhou 310027, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o105. doi: 10.1107/S1600536807062770.

DOI:10.1107/S1600536807062770
PMID:21200670
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915179/
Abstract

In the crystal strucuture of the title compound, C(5)H(5)N(3)O, which was obtained upon recrystallization of 2-cyano-pyrimidine from aqueous sodium hydroxide, the amide group is twisted with respect to the aromatic ring by 24.9 (1)°. π-π stacking is observed between partially overlapped rings at a face-to-face separation of 3.439 (6) Å. The structure features a centrosymmetric pair of inter-molecular N-H⋯O hydrogen bonds. Another N-H⋯O hydrogen bond between adjacent mol-ecules links them into a helical chain motif.

摘要

在标题化合物C(5)H(5)N(3)O的晶体结构中，该化合物是由2-氰基嘧啶在氢氧化钠水溶液中重结晶得到的，酰胺基团相对于芳环扭转了24.9 (1)°。在部分重叠的环之间观察到π-π堆积，面对面间距为3.439 (6) Å。该结构的特征是存在一对中心对称的分子间N-H⋯O氢键。相邻分子之间的另一个N-H⋯O氢键将它们连接成螺旋链 motif。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f73b/2915179/e9f3ea69db44/e-64-0o105-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f73b/2915179/e9f3ea69db44/e-64-0o105-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f73b/2915179/e9f3ea69db44/e-64-0o105-fig1.jpg

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本文引用的文献

1
Bis(pyrimidine-2-carboxyl-ato-κN,O)copper(II).双（嘧啶-2-羧酸根-κN，O）铜（II）
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):m7. doi: 10.1107/S1600536807060977.
2
A binuclear manganese(II) complex, decaaqua(mu-1,2,4,5-benzenetetracarboxylato-O1:O4)dimanganese(II) hydrate.一种双核锰（II）配合物，十水合（μ-1,2,4,5-苯四羧酸根-O1:O4）二锰（II）。
Acta Crystallogr C. 2000 May;56 (Pt 5):523-4.