2-[5-(4-氯苯基)-1-(4-氟苯基)-1H-吡唑-3-基]-4-甲基噻唑-5-羧酸乙酯
Ethyl 2-[5-(4-chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]-4-methyl-thia-zole-5-carboxyl-ate.
作者信息
Loh Wan-Sin, Fun Hoong-Kun, Ragavan R Venkat, Vijayakumar V, Sarveswari S
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2925. doi: 10.1107/S1600536810042066.
Abstract
In the title compound, C(22)H(17)ClFN(3)O(2)S, the pyrazole ring is approximately planar with a maximum deviation of 0.001 (4) Å and makes dihedral angles of 4.95 (19), 35.78 (18) and 54.73 (18)° with the thia-zole, fluoro-benzene and chloro-benzene rings, respectively. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis.
摘要
在标题化合物C₂₂H₁₇ClFN₃O₂S中，吡唑环近似平面，最大偏差为0.001 (4) Å，与噻唑、氟苯和氯苯环的二面角分别为4.95 (19)°、35.78 (18)°和54.73 (18)°。在晶体中，分子间的C—H⋯O氢键将分子沿a轴连接成链。
相似文献
1
Ethyl 2-[5-(4-chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]-4-methyl-thia-zole-5-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2925. doi: 10.1107/S1600536810042066.
2
4-{2-[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]thia-zol-4-yl}benzonitrile.
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2286-7. doi: 10.1107/S1600536810031405.
3
Crystal structure of ethyl 5-(3-fluoro-phen-yl)-2-[(4-fluoro-phen-yl)methyl-idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1187-8. doi: 10.1107/S1600536814023010. eCollection 2014 Nov 1.
4
1-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl]}piperidin-4-one.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3233-4. doi: 10.1107/S1600536810047215.
5
4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-ethyl-piperazine-1-carboxamide.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1747-8. doi: 10.1107/S1600536811023178. Epub 2011 Jun 18.
6
Reduced 3,4'-bi-pyrazoles carrying thio-phene and thia-zole substituents: structures of two intermediates and two products.
Acta Crystallogr E Crystallogr Commun. 2021 Mar 5;77(Pt 4):335-340. doi: 10.1107/S2056989021002310. eCollection 2021 Apr 1.
7
Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3433. doi: 10.1107/S1600536811049774. Epub 2011 Nov 25.
8
4-{1-[4-(4-Bromo-phen-yl)-1,3-thia-zol-2-yl]-5-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl}-5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazole.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1956-7. doi: 10.1107/S1600536812024257. Epub 2012 May 31.
9
4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-(4-cyano-phen-yl)piperazine-1-carboxamide.
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2563-4. doi: 10.1107/S1600536810036159.
10
2-[5-(4-Fluoro-phen-yl)-3-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o392-3. doi: 10.1107/S1600536813004339. Epub 2013 Feb 16.
引用本文的文献
1
5-Isobutyl-4-phenyl-sulfonyl-1H-pyrazol-3(2H)-one.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 6;66(Pt 12):o3050-1. doi: 10.1107/S1600536810044181.
2
5-Ethyl-4-phenyl-1H-pyrazol-3(2H)-one.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o403-4. doi: 10.1107/S1600536811001589.
3
4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one.
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o151-2. doi: 10.1107/S160053681005213X.
本文引用的文献
1
4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-(4-cyano-phen-yl)piperazine-1-carboxamide.
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2563-4. doi: 10.1107/S1600536810036159.
2
Synthesis and antimicrobial activities of novel 1,5-diaryl pyrazoles.
Eur J Med Chem. 2010 Mar;45(3):1173-80. doi: 10.1016/j.ejmech.2009.12.042. Epub 2009 Dec 28.
3
Synthesis of some novel bioactive 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation.
Eur J Med Chem. 2009 Oct;44(10):3852-7. doi: 10.1016/j.ejmech.2009.04.010. Epub 2009 Apr 14.
4
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.
5
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
Zotero 插件