7a-苯基-四氢-吡咯并-[2,1-]恶唑-5(6)-酮
7a-Phenyl-tetra-hydro-pyrrolo-[2,1-]oxazol-5(6)-one.
作者信息
Linkova Elena I, Grinev Vyacheslav S, Mayorova Oksana A, Yegorova Alevtina Yu
机构信息
Institute of Chemistry, N.G. Chernyshevsky National Research Saratov State University, Ulitsa Astrakhanskaya, 83, Saratov 410012, Russian Federation.
Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, 13 Prospekt Entuziastov, Saratov 410049, Russian Federation.
出版信息
IUCrdata. 2020 Jul 10;5(Pt 7):x200919. doi: 10.1107/S2414314620009190. eCollection 2020 Jul.
Abstract
In the title compound, CHNO, the pyrrolidinone moiety is almost flat while the oxazole ring adopts an envelope conformation with the carbon atom bearing the phenyl substituent as the flap: the angle between the mean planes of the fused heterocyclic rings is 45.47 (19)°. In the crystal, C-H⋯O and C-H⋯π contacts link the mol-ecules into infinite [010] chains.
摘要
在标题化合物CHNO中，吡咯烷酮部分几乎是平面的，而恶唑环采取信封式构象，带有苯基取代基的碳原子作为折边：稠合杂环的平均平面之间的夹角为45.47 (19)°。在晶体中，C—H⋯O和C—H⋯π接触将分子连接成无限的[010]链。
相似文献
1
7a-Phenyl-tetra-hydro-pyrrolo-[2,1-]oxazol-5(6)-one.7a-苯基-四氢-吡咯并-[2,1-]恶唑-5(6)-酮
IUCrdata. 2020 Jul 10;5(Pt 7):x200919. doi: 10.1107/S2414314620009190. eCollection 2020 Jul.
2
Crystal structures of 6a,6b,7,11a-tetra-hydro-6,9-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-]thia-zole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetra-hydro-6,9-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-]thia-zole-11,3'-indoline]-2',6-dione.6a,6b,7,11a-四氢-6,9-螺-[色烯并[3',4':3,4]吡咯并-[1,2-]噻唑-11,3'-吲哚啉]-2',6-二酮和5'-甲基-6a,6b,7,11a-四氢-6,9-螺-[色烯并[3',4':3,4]吡咯并-[1,2-]噻唑-11,3'-吲哚啉]-2',6-二酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jan 22;75(Pt 2):246-250. doi: 10.1107/S2056989019000045. eCollection 2019 Feb 1.
3
3-Benzyl-7-meth-oxy-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-甲氧基-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 31;65(Pt 11):o2956-7. doi: 10.1107/S1600536809044973.
4
3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-溴-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 7;65(Pt 12):o3001-2. doi: 10.1107/S1600536809045875.
5
Crystal structure of 7'-(4-chloro-phen-yl)-2''-(4-meth-oxy-phen-yl)-7',7a',7'',8''-tetra-hydro-1',3',5''-di-spiro-[indoline-3,5'-pyrrolo-[1,2-]thia-zole-6',6''-quinoline]-2,5''-dione and an unknown solvent.7'-(4-氯苯基)-2''-(4-甲氧基苯基)-7',7a',7'',8''-四氢-1',3',5''-二螺-[吲哚啉-3,5'-吡咯并-[1,2-]噻唑-6',6''-喹啉]-2,5''-二酮与一种未知溶剂的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jan 11;75(Pt 2):189-193. doi: 10.1107/S2056989019000112. eCollection 2019 Feb 1.
6
3-Benzyl-7-chloro-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-氯-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 4;65(Pt 12):o2973-4. doi: 10.1107/S1600536809045267.
7
Crystal structure of 15-(2-chloro-phen-yl)-6b-hy-droxy-17-methyl-6b,7,16,17-tetra-hydro-7,14a-methanona-phtho[1',8':1,2,3]pyrrolo-[3',2':8,8a]azuleno[5,6-b]quinolin-14(15H)-one.15-（2-氯苯基）-6b-羟基-17-甲基-6b,7,16,17-四氢-7,14a-亚甲基萘并[1',8':1,2,3]吡咯并[3',2':8,8a]薁并[5,6-b]喹啉-14（15H）-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1091-2. doi: 10.1107/S2056989015024767. eCollection 2015 Dec 1.
8
Spontaneous resolution and crystal structure of (2)-2-(3-nitro-phen-yl)-3-phenyl-2,3,5,6-tetra-hydro-4-1,3-thia-zin-4-one; crystal structure of -2-(4-nitro-phen-yl)-3-phenyl-2,3,5,6-tetra-hydro-4-1,3-thia-zin-4-one.（2）-2-（3-硝基苯基）-3-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮的自发拆分与晶体结构；-2-（4-硝基苯基）-3-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Mar 6;74(Pt 4):454-457. doi: 10.1107/S2056989018003444. eCollection 2018 Apr 1.
9
3-Benzyl-7-methyl-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-甲基-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 31;65(Pt 11):o2924-5. doi: 10.1107/S1600536809044481.
10
3-(4-Chloro-phen-yl)-5-phenyl-4,5-di-hydro-1,3-oxazole.3-（4-氯苯基）-5-苯基-4,5-二氢-1,3-恶唑
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3215. doi: 10.1107/S1600536812043711. Epub 2012 Oct 27.
本文引用的文献
1
Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6(1H)-ones.
Acta Crystallogr C Struct Chem. 2020 May 1;76(Pt 5):483-489. doi: 10.1107/S2053229620005409. Epub 2020 Apr 24.
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
Synthesis and anticonvulsant activity of some 1,2,3,3a-tetrahydropyrrolo[2,1-b]-benzothiazol-, -thiazol- or -oxazol-1-ones in rodents.
J Pharm Pharmacol. 1996 Aug;48(8):834-40. doi: 10.1111/j.2042-7158.1996.tb03984.x.
4
Synthesis and central nervous system depressant activity of some bicyclic amides.某些双环酰胺的合成及其对中枢神经系统的抑制活性
J Med Chem. 1976 Mar;19(3):436-8. doi: 10.1021/jm00225a023.
Zotero 插件