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4-[(3-甲氧基-苯胺基)亚甲基]-2-苯基-1,3-恶唑-5(4H)-酮

4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.

作者信息

Huang Wan-Yun, Zhang Ye, Hu Kun, Lin Qing-Mei, Liu Xian-Xian

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1008. doi: 10.1107/S1600536812008276. Epub 2012 Mar 10.

DOI:10.1107/S1600536812008276
PMID:22589883
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3343974/
Abstract

In the title compound, C(17)H(14)N(2)O(3), the oxazolone ring is essentially planar [maximum deviation = 0.004 (1) Å] and is oriented with respect to the phenyl and benzene rings at 10.06 (9) and 5.63 (8)°, respectively; the dihedral angle between the phenyl ring and the benzene ring is 15.69 (8)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis. Neighbouring chains are inter-connected by π-π stacking, the centroid-centroid distance being 3.6201 (9) Å.

摘要

在标题化合物C₁₇H₁₄N₂O₃中，恶唑酮环基本呈平面状[最大偏差 = 0.004 (1) Å]，相对于苯环和苯基环的取向分别为10.06 (9)°和5.63 (8)°；苯环和苯基环之间的二面角为15.69 (8)°。在晶体中，N—H⋯O氢键将分子连接成沿a轴延伸的链。相邻的链通过π - π堆积相互连接，质心间距为3.6201 (9) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/451177939bd0/e-68-o1008-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/3beb2c4adfad/e-68-o1008-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/d833a5fed86f/e-68-o1008-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/451177939bd0/e-68-o1008-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/3beb2c4adfad/e-68-o1008-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/d833a5fed86f/e-68-o1008-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89d2/3343974/451177939bd0/e-68-o1008-fig3.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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The diverse chemistry of oxazol-5-(4H)-ones.恶唑-5-(4H)-酮的多样化学性质。
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Bioorg Med Chem Lett. 2004 Apr 19;14(8):1909-11. doi: 10.1016/j.bmcl.2004.01.094.
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3Beta-(1-allyl-1-pyrrolidinio)-16-(2-pyridylmethylene)androst-5-en-17beta-ol bromide hemihydrate.
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