4-[2-(4-氯苯基)肼叉基]-3-甲基-5-氧代-4,5-二氢-1H-吡唑-1-碳硫酰胺
4-[2-(4-Chloro-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
作者信息
Fun Hoong-Kun, Arshad Suhana, Shetty Shobhitha, Kalluraya Balakrishna
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2740. doi: 10.1107/S1600536811038463. Epub 2011 Sep 30.
Abstract
In the title mol-ecule, C(11)H(10)ClN(5)OS, an intra-molecular N-H⋯O hydrogen forms an S(6) ring motif. The dihedral angle between the pyrazole ring and the benzene ring is 3.77 (8)°. In the crystal, mol-ecules are linked by N-H⋯S and N-H⋯O hydrogen bonds into layers parallel to the bc plane.
摘要
在标题分子C(11)H(10)ClN(5)OS中，分子内的N-H⋯O氢键形成了一个S(6)环 motif。吡唑环与苯环之间的二面角为3.77 (8)°。在晶体中，分子通过N-H⋯S和N-H⋯O氢键连接成平行于bc平面的层。
相似文献
1
4-[2-(4-Chloro-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2740. doi: 10.1107/S1600536811038463. Epub 2011 Sep 30.
2
4-[2-(4-Bromo-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2570. doi: 10.1107/S1600536811034726. Epub 2011 Sep 14.
3
4-[(2,4-Difluoro-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3116. doi: 10.1107/S1600536811044576. Epub 2011 Oct 29.
4
4-[2-(2-Meth-oxy-phen-yl)hydrazinyl-idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2711. doi: 10.1107/S1600536811037883. Epub 2011 Sep 30.
5
3-Methyl-4-[2-(4-nitro-phen-yl)hydrazin-1-yl-idene]-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2162. doi: 10.1107/S1600536812027134. Epub 2012 Jun 23.
6
3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o928. doi: 10.1107/S1600536811009779. Epub 2011 Mar 19.
7
4-[2-(4-Chloro-phen-yl)hydrazinyl-idene]-3-methyl-1H-pyrazol-5(4H)-one.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2670. doi: 10.1107/S1600536811037020. Epub 2011 Sep 17.
8
3-(4-Chloro-phen-yl)-5-(thio-phen-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o259-60. doi: 10.1107/S1600536811054754. Epub 2012 Jan 7.
9
5-(4-Fluoro-phen-yl)-3-[5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazol-4-yl]-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1954-5. doi: 10.1107/S1600536812024245. Epub 2012 May 31.
10
5-(4-Meth-oxy-phen-yl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3501-2. doi: 10.1107/S1600536811050033. Epub 2011 Nov 30.
本文引用的文献
1
Synthesis and pharmacological study of 1-acetyl/propyl-3-aryl-5-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-pyrazoline.
Eur J Med Chem. 2010 Oct;45(10):4640-4. doi: 10.1016/j.ejmech.2010.07.032. Epub 2010 Jul 24.
2
Regioselective reaction: synthesis, characterization and pharmacological studies of some new Mannich bases derived from 1,2,4-triazoles.
Eur J Med Chem. 2009 Sep;44(9):3784-7. doi: 10.1016/j.ejmech.2009.04.038. Epub 2009 May 5.
3
Structure validation in chemical crystallography.
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
4
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
5
Convenient access to 1,3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation.
Eur J Med Chem. 2008 Aug;43(8):1715-20. doi: 10.1016/j.ejmech.2007.08.002. Epub 2007 Aug 30.
Zotero 插件