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N-(5-溴吡啶-2-基)乙酰胺

N-(5-Bromo-pyridin-2-yl)acetamide.

作者信息

Fun Hoong-Kun, Shahani Tara, Kumar Rajesha, Isloor Arun M, Shivananda Kammasandra N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2043. doi: 10.1107/S1600536811027553. Epub 2011 Jul 16.

DOI:10.1107/S1600536811027553
PMID:22091070
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213491/
Abstract

The asymmetric unit of the title compound, C(7)H(7)BrN(2)O, contains two mol-ecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57 (3):0.43 (3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27 (11) and 8.46 (11)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds generating bifurcated R(2) (1)(5) ring motifs, which in turn lead to [110] chains.

摘要

标题化合物C₇H₇BrN₂O的不对称单元包含两个分子,其中一个分子中的甲基氢原子在两个取向之间无序排列,比例为0.57 (3):0.43 (3)。吡啶环与乙酰胺基团之间的二面角分别为7.27 (11)°和8.46 (11)°。在晶体中,分子通过N-H⋯O和C-H⋯O氢键相连,形成分叉的R₂²(₁)(₅)环 motif,进而形成[110]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7778/3213491/fb5be16c90a0/e-67-o2043-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7778/3213491/ca112edfa4ce/e-67-o2043-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7778/3213491/fb5be16c90a0/e-67-o2043-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7778/3213491/ca112edfa4ce/e-67-o2043-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7778/3213491/fb5be16c90a0/e-67-o2043-fig2.jpg

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本文引用的文献

1
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
2
Hydrogen-bond patterns in the congruent complex 4-nitrophenol-acetamide (1/1).同晶型配合物4-硝基苯酚-乙酰胺(1/1)中的氢键模式
Acta Crystallogr C. 2008 Jun;64(Pt 6):o306-8. doi: 10.1107/S0108270108011530. Epub 2008 May 6.
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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.
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Practical total syntheses of epiquinamide enantiomers.表鬼臼酰胺对映体的实用全合成。
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