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1-(4-氯苯基)-3-苯基-1H-吡唑-5(4H)-酮

1-(4-Chloro-phen-yl)-3-phenyl-1H-pyrazol-5(4H)-one.

作者信息

Ding Yong-Jie, Zhao Chun-Xiang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 27;66(Pt 3):o709. doi: 10.1107/S1600536809055263.

DOI:10.1107/S1600536809055263
PMID:21580447
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983571/
Abstract

In the crystal of the title compound, C(15)H(11)ClN(2)O, the molecules are linked by C-H⋯O and weak C-H⋯π inter-actions. The chloro-phenyl and phenyl rings are twisted with respect to the central pyrazolone ring, making dihedral angles of 18.23 (8) and 8.35 (8)°, respectively. The N-N and C=O bond lengths are comparable to those reported for pyrazolone compounds.

摘要

在标题化合物C₁₅H₁₁ClN₂O的晶体中,分子通过C-H⋯O和弱C-H⋯π相互作用相连。氯苯基和苯基环相对于中心吡唑啉酮环发生扭曲,二面角分别为18.23 (8)°和8.35 (8)°。N-N和C=O键长与吡唑啉酮化合物报道的键长相当。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed2/2983571/77a79840465b/e-66-0o709-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed2/2983571/77a79840465b/e-66-0o709-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed2/2983571/77a79840465b/e-66-0o709-fig1.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Tuning the triplet energy levels of pyrazolone ligands to match the 5D0 level of europium(III).调整吡唑啉酮配体的三重态能级以匹配铕(III)的5D0能级。
Inorg Chem. 2005 Nov 28;44(24):8929-36. doi: 10.1021/ic050844p.