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1-乙酰基-6-溴-1H-咪唑并[4,5-b]吡啶-2(3H)-酮

1-Acetyl-6-bromo-1H-imidazo[4,5-b]pyridin-2(3H)-one.

作者信息

Dahmani Siham, Kandri Rodi Youssef, Luis Santiago V, Essassi El Mokhtar, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1375. doi: 10.1107/S1600536811017004. Epub 2011 May 11.

DOI:10.1107/S1600536811017004
PMID:21754765
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120304/
Abstract

The two fused five- and six-membered rings in the mol-ecule of the title compound, C(8)H(6)BrN(3)O(2), are approximately coplanar, the largest deviation from the mean plane being 0.011 (3) Å at the NH atom. The acetyl group is slightly twisted with respect to the imidazo[4,5-b]pyridine system, making a dihedral angle of 2.7 (2)°. In the crystal, adjacent mol-ecules are linked by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, forming infinite chains.

摘要

标题化合物C(8)H(6)BrN(3)O(2)分子中的两个稠合五元环和六元环近似共面，NH原子处与平均平面的最大偏差为0.011 (3) Å。乙酰基相对于咪唑并[4,5-b]吡啶体系略有扭曲，二面角为2.7 (2)°。在晶体中，相邻分子通过分子间N-H⋯N和C-H⋯O氢键相连，形成无限链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de74/3120304/79694feb1bb1/e-67-o1375-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de74/3120304/6fdd35c3c704/e-67-o1375-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de74/3120304/79694feb1bb1/e-67-o1375-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de74/3120304/6fdd35c3c704/e-67-o1375-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de74/3120304/79694feb1bb1/e-67-o1375-fig2.jpg

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