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3-[2-(6-溴-2-苯基-3H-咪唑并[4,5-b]吡啶-3-基)乙基]-1,3-恶唑烷-2-酮

3-[2-(6-Bromo-2-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)eth-yl]-1,3-oxazolidin-2-one.

作者信息

Ouzidan Younes, Jasinski Jerry P, Butcher Raymond J, Golen James A, Essassi El Mokhtar, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1095. doi: 10.1107/S1600536811012669. Epub 2011 Apr 13.

DOI:10.1107/S1600536811012669
PMID:21754415
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089183/
Abstract

In the title mol-ecule, C(17)H(15)BrN(4)O(2), the fused-ring system is essentially planar, the largest deviation from the mean plane being 0.015 (2) Å, and forms dihedral angles of 37.8 (2) and 35.5 (2)° with the phenyl and oxazolidine rings, respectively. The conformation adopted by the mol-ecule is stabilized by an intra-molecular π⋯π inter-action [centroid-centroid distance = 3.855(2) Å] between oxazolidine and phenyl rings. The crystal packing features inter-molecular C-H⋯N and C-H⋯O inter-actions.

摘要

在标题分子C(17)H(15)BrN(4)O(2)中，稠环体系基本呈平面状，与平均平面的最大偏差为0.015 (2) Å，且分别与苯环和恶唑烷环形成37.8 (2)°和35.5 (2)°的二面角。分子采取的构象通过恶唑烷环与苯环之间的分子内π⋯π相互作用[质心 - 质心距离 = 3.855(2) Å]得以稳定。晶体堆积具有分子间C - H⋯N和C - H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ce3/3089183/b2ffe0e5040c/e-67-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ce3/3089183/916b511fb7eb/e-67-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ce3/3089183/b2ffe0e5040c/e-67-o1095-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ce3/3089183/916b511fb7eb/e-67-o1095-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ce3/3089183/b2ffe0e5040c/e-67-o1095-fig2.jpg

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