2-苄基硫烷基-7-(2-氯苯基)-5-甲基-4,7-二氢-1,2,4-三唑并[1,5-a]嘧啶-6-羧酸乙酯
Ethyl 2-benzyl-sulfanyl-7-(2-chloro-phen-yl)-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.
作者信息
Song Dan-Dan, Chen Qiong
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o44. doi: 10.1107/S1600536807062174.
Abstract
In the title compound, C(22)H(21)ClN(4)O(2)S, the bicyclic triazolopyrimidine ring system is nearly planar, and oriented at dihedral angles of 89.45 (3)° with respect to the chlorobenzene ring and 87.03 (3)° with respect to the terminal phenyl ring. In the crystal structure, mol-ecules are linked by π-π stacking inter-actions between the triazolopyrimidine rings [centroid-centroid distances of 3.88 (1) and 3.63 (1) Å].
摘要
在标题化合物C₂₂H₂₁ClN₄O₂S中，双环三唑并嘧啶环系近乎平面，相对于氯苯环的二面角为89.45 (3)°，相对于末端苯环的二面角为87.03 (3)°。在晶体结构中，分子通过三唑并嘧啶环之间的π-π堆积相互作用相连[质心-质心距离为3.88 (1) 和3.63 (1) Å]。
相似文献
1
Ethyl 2-benzyl-sulfanyl-7-(2-chloro-phen-yl)-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.2-苄基硫烷基-7-(2-氯苯基)-5-甲基-4,7-二氢-1,2,4-三唑并[1,5-a]嘧啶-6-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o44. doi: 10.1107/S1600536807062174.
2
Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.5-氯甲基-2-甲硫基-7-苯基-4,7-二氢-1,2,4-三唑并[1,5-a]嘧啶-6-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o45. doi: 10.1107/S1600536807062629.
3
Ethyl 3-(4-chloro-phen-yl)-2-(dipentyl-amino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo-[3,2-d]pyrimidine-7-carboxyl-ate.3-(4-氯苯基)-2-(二戊基氨基)-4-氧代-5-苯基-4,5-二氢-3H-吡咯并[3,2-d]嘧啶-7-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o1990-1. doi: 10.1107/S1600536812024609. Epub 2012 Jun 2.
4
5-(4-Chloro-phen-oxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one.5-（4-氯苯氧基）-6-异丙基-3-苯基-3H-1,2,3-三唑并[4,5-d]嘧啶-7（6H）-酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 30;65(Pt 10):o2583-4. doi: 10.1107/S160053680903788X.
5
Crystal structures of three 1-oxo-1,2-di-hydro-naphthalene derivatives: dimethyl 4-(4-meth-oxy-phen-yl)-2-(4-methyl-phen-yl)-1-oxo-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate, dimethyl 1-oxo-2-(pyren-4-yl)-4-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-2,3-di-carboxyl-ate and ethyl 1-oxo-2-phenyl-2,4-bis-(thio-phen-2-yl)-1,2-di-hydro-naphthalene-3-carboxyl-ate.三种1-氧代-1,2-二氢萘衍生物的晶体结构：4-(4-甲氧基苯基)-2-(4-甲基苯基)-1-氧代-1,2-二氢萘-2,3-二羧酸二甲酯、1-氧代-2-(芘-4-基)-4-(噻吩-2-基)-1,2-二氢萘-2,3-二羧酸二甲酯和1-氧代-2-苯基-2,4-双(噻吩-2-基)-1,2-二氢萘-3-羧酸乙酯。
Acta Crystallogr E Crystallogr Commun. 2017 Jan 13;73(Pt 2):177-182. doi: 10.1107/S2056989017000469. eCollection 2017 Feb 1.
6
(2Z)-Ethyl 5-(4-methoxy-phen-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxy-benzyl-idene)-3,5-dihydro-2H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.（2Z）-5-（4-甲氧基苯基）-7-甲基-3-氧代-2-（3,4,5-三甲氧基苄叉基）-3,5-二氢-2H-噻唑并[3,2-a]嘧啶-6-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o235. doi: 10.1107/S1600536808041019.
7
Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 10;65(Pt 11):o2671. doi: 10.1107/S1600536809039373.
8
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.5-(3-氟苯基)-2-[(4-氟苯基)亚甲基]-7-甲基-3-氧代-2H,3H,5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸乙酯的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1187-8. doi: 10.1107/S1600536814023010. eCollection 2014 Nov 1.
9
5-Chloro-3-ethyl-sulfinyl-7-methyl-2-(4-methyl-phen-yl)-1-benzo-furan.5-氯-3-乙基亚磺酰基-7-甲基-2-(4-甲基苯基)-1-苯并呋喃
Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 19;70(Pt 4):o458. doi: 10.1107/S1600536814005601. eCollection 2014 Apr 1.
10
Crystal structure of ethyl 4-(2-chloro-phen-yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo-thia-zole-3-carboxyl-ate.4-（2-氯苯基）-2-甲基-4H-嘧啶并[2,1-b][1,3]苯并噻唑-3-羧酸乙酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Aug 22;71(Pt 9):o669. doi: 10.1107/S2056989015014905. eCollection 2015 Sep 1.
Zotero 插件