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3-苯基-2-(2-丙炔氧基)-1-苯并呋喃[3,2-d]嘧啶-4(3H)-酮

3-Phenyl-2-(prop-2-yn-yloxy)-1-benzofuro[3,2-d]pyrimidin-4(3H)-one.

作者信息

Qu Yong-Nian, Pan Long-Rui, Hu Yang-Gen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o137. doi: 10.1107/S160053680706326X.

DOI:10.1107/S160053680706326X
PMID:21200701
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2915206/
Abstract

In the title compound, C(19)H(12)N(2)O(3), the 1-benzofuro[3,2-d]pyrimidinone unit is approximately planar, the maximum deviation from the mean plane being 0.045 (1) Å. The attached phenyl ring makes a dihedral angle of 86.73 (6)° with the fused ring system. The packing of the mol-ecules in the crystal structure is mainly governed by C-H⋯π hydrogen-bonding inter-actions.

摘要

在标题化合物C(19)H(12)N(2)O(3)中，1-苯并呋喃[3,2-d]嘧啶酮单元近似平面，与平均平面的最大偏差为0.045 (1) Å。连接的苯环与稠环体系形成的二面角为86.73 (6)°。晶体结构中分子的堆积主要由C-H⋯π氢键相互作用控制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4532/2915206/999e99a32c25/e-64-0o137-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4532/2915206/91c224fa9f92/e-64-0o137-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4532/2915206/999e99a32c25/e-64-0o137-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4532/2915206/91c224fa9f92/e-64-0o137-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4532/2915206/999e99a32c25/e-64-0o137-fig2.jpg

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