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3-（3-氯苯胺基）-1-（3,5-二甲基-1H-吡唑-1-基）丙-1-酮

3-(3-Chloro-anilino)-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one.

作者信息

Saeed Aamer, Hussain Shahid, Bolte Michael

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1231. doi: 10.1107/S1600536809016250.

DOI:10.1107/S1600536809016250
PMID:21583099
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969777/
Abstract

In the mol-ecule of the title compound, C(14)H(16)ClN(3)O, the benzene and pyrazole rings are oriented at a dihedral angle of 3.50 (3)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains. A π-π contact between the benzene and pyrazole rings [centroid-centroid distance = 3.820 (3) Å] may further stabilize the structure.

摘要

在标题化合物C(14)H(16)ClN(3)O的分子中，苯环和吡唑环以3.50 (3)°的二面角取向。在晶体结构中，分子间的N-H⋯O氢键将分子连接成链。苯环和吡唑环之间的π-π接触[质心-质心距离 = 3.820 (3) Å]可能进一步稳定该结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7228/2969777/aafdfa552929/e-65-o1231-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7228/2969777/0f92692139ea/e-65-o1231-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7228/2969777/aafdfa552929/e-65-o1231-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7228/2969777/0f92692139ea/e-65-o1231-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7228/2969777/aafdfa552929/e-65-o1231-fig2.jpg

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本文引用的文献

1
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.
2
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.
3
Oral anticoagulants in development: focus on thromboprophylaxis in patients undergoing orthopaedic surgery.正在研发的口服抗凝剂：聚焦于骨科手术患者的血栓预防。
Drugs. 2006;66(11):1411-29. doi: 10.2165/00003495-200666110-00001.
4
Gastrointestinal effects of selective and non-selective non-steroidal anti-inflammatory drugs.选择性和非选择性非甾体抗炎药的胃肠道效应
Curr Pharm Des. 2005;11(14):1779-93. doi: 10.2174/1381612053764904.
5
Synthesis and biological evaluation of the 1,5-diarylpyrazole class of cyclooxygenase-2 inhibitors: identification of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benze nesulfonamide (SC-58635, celecoxib).1,5 - 二芳基吡唑类环氧化酶 - 2抑制剂的合成及生物学评价：4 - [5 - (4 - 甲基苯基)-3 - (三氟甲基)-1H - 吡唑 - 1 - 基]苯磺酰胺（SC - 58635，塞来昔布）的鉴定
J Med Chem. 1997 Apr 25;40(9):1347-65. doi: 10.1021/jm960803q.
6
An empirical correction for absorption anisotropy.吸收各向异性的经验校正
Acta Crystallogr A. 1995 Jan 1;51 ( Pt 1):33-8. doi: 10.1107/s0108767394005726.