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（2-氨基苯基）[（5S）-5-羟基-3,5-二甲基-4,5-二氢-1H-吡唑-1-基]甲酮

(2-Amino-phen-yl)[(5S)-5-hydr-oxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl]methanone.

作者信息

Arfan Mohammad, Tahir M Nawaz, Khan Rasool, Saba Sumbal, Iqbal Mohammad S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1834-5. doi: 10.1107/S1600536809026294.

DOI:10.1107/S1600536809026294
PMID:21583536
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977426/
Abstract

In the mol-ecule of the title compound, C(12)H(15)N(3)O(2), the pyrazole ring is oriented at a dihedral angle of 49.64 (6)° with respect to the benzene ring. Intra-molecular O-H⋯O, N-H⋯O and C-H⋯O inter-actions result in the formation of a trifurcated hydrogen bond. In the crystal structure, inter-molecular N-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules, forming a network structure.

摘要

在标题化合物C(12)H(15)N(3)O(2)的分子中，吡唑环相对于苯环的二面角为49.64 (6)°。分子内的O-H⋯O、N-H⋯O和C-H⋯O相互作用导致形成一个三叉氢键。在晶体结构中，分子间的N-H⋯O和O-H⋯N氢键连接分子，形成一个网络结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3e4/2977426/f27b98db16cd/e-65-o1834-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3e4/2977426/803dd83662af/e-65-o1834-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3e4/2977426/f27b98db16cd/e-65-o1834-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3e4/2977426/803dd83662af/e-65-o1834-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3e4/2977426/f27b98db16cd/e-65-o1834-fig2.jpg

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本文引用的文献

1
1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine.1-（4-甲氧基-苯基）-3-苯基-1H-吡唑-5-胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):o1170. doi: 10.1107/S1600536809015463.
2
Racemic N-methyl-4-[2-(methyl-sulfan-yl)-pyrimidin-4-yl]-1-(tetra-hydro-furan-3-yl)-1H-pyrazol-5-amine.外消旋 N-甲基-4-[2-(甲基硫烷基)-嘧啶-4-基]-1-(四氢呋喃-3-基)-1H-吡唑-5-胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):o1089. doi: 10.1107/S1600536809014317.
3
4-[(2-Benzoyl-4-chlorophenyl)diazenyl]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.
4-[(2-苯甲酰基-4-氯苯基)重氮基]-3-甲基-1-苯基-1H-吡唑-5(4H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 11;65(Pt 3):o510. doi: 10.1107/S1600536809004243.
4
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.
5
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.
6
Synthesis and preliminary evaluation of new 5-pyrazolinone derivatives as analgesic agents.
Eur J Med Chem. 2000 Mar;35(3):359-64. doi: 10.1016/s0223-5234(00)00117-3.