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3-烯丙基-6-溴-1H-咪唑并[4,5-b]吡啶-2(3H)-酮

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

作者信息

Dahmani Siham, Kandri Rodi Youssef, Luis Santiago V, Bolte Michael, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1998. doi: 10.1107/S1600536811025037. Epub 2011 Jul 9.

Abstract

In the mol-ecule of the title compound, C(9)H(8)BrN(3)O, the fused-ring system is almost planar, the largest deviation from the mean plane being 0.008 (3) Å. The plane through the atoms forming the allyl group is roughly perpendicular to the imidazo[4,5-b]pyridin-2-one system, as indicated by the dihedral angle between them of 70.28 (11)°. In the crystal, each mol-ecule is linked to its symmetry equivalent about the center of inversion by a pair of strong N-H⋯O hydrogen bond, forming inversion dimers.

摘要

在标题化合物C₉H₈BrN₃O的分子中,稠环体系几乎是平面的,与平均平面的最大偏差为0.008 (3) Å。形成烯丙基的原子所在平面与咪唑并[4,5-b]吡啶-2-酮体系大致垂直,它们之间的二面角为70.28 (11)°。在晶体中,每个分子通过一对强的N-H⋯O氢键与其关于反演中心的对称等效体相连,形成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ba2b/3213453/ddfa1c6198b5/e-67-o1998-fig1.jpg

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