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4-[(3-羟基苯胺基)-(苯基)-亚甲基]-3-甲基-1-苯基-1H-吡唑-5(4H)-酮

4-[(3-Hy-droxy-anil-ino)-(phenyl)-methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

作者信息

Saida Keraghel, Fatiha Benghanem, Ouarda Dehbi, Ali Ourari, Kamel Ouari, Brelot Lydia

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1909-10. doi: 10.1107/S1600536812023082. Epub 2012 May 26.

DOI:10.1107/S1600536812023082
PMID:22719664
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379466/
Abstract

In the title compound, C(23)H(19)N(3)O(2), the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6), 60.96 (4) and 57.01 (4)°. The ligand is in the enamine-keto form and its structure is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, O-H⋯N hydrogen bonds link mol-ecules into chains parallel to [01-1].

摘要

在标题化合物C₂₃H₁₉N₃O₂中,吡唑啉酮环与三个苯环形成的二面角分别为30.91(6)°、60.96(4)°和57.01(4)°。配体处于烯胺 - 酮形式,其结构通过分子内N - H⋯O氢键得以稳定。在晶体中,O - H⋯N氢键将分子连接成平行于[01 - 1]的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d7/3379466/0a315a88f951/e-68-o1909-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d7/3379466/9c073a68c9f7/e-68-o1909-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d7/3379466/0a315a88f951/e-68-o1909-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d7/3379466/9c073a68c9f7/e-68-o1909-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d7/3379466/0a315a88f951/e-68-o1909-fig2.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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A short history of SHELX.SHELX简史。
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