3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluorophenyl)acrylate

Autor:	Jin-Hao Zhao, Jing-Li Cheng, Bing-Rong Xu, Xing-Rui He
Rok vydání:	2013
Předmět:	Acrylate Crystallography Hydrogen bond General Chemistry Meth Dihedral angle Condensed Matter Physics Ring (chemistry) Bioinformatics Organic Papers Medicinal chemistry Pyrrolidine Crystal chemistry.chemical_compound chemistry QD901-999 General Materials Science
Zdroj:	Acta Crystallographica Section E, Vol 69, Iss 7, Pp o1064-o1065 (2013) Acta Crystallographica Section E: Structure Reports
ISSN:	1600-5368
DOI:	10.1107/s160053681301430x
Popis:	In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxylase, the cyclohexane ring displays a chair comformation with the spiro-C and methoxy-bearing C atoms deviating by 0.681 (7) and −0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C6 ring. The mean planes of the cyclohexane and 2-bromo-4-fluorophenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, molecules are linked via pairs of N—H...O hydrogen bonds, forming inversion dimers.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be9c04187c6312a661565881666096f5 https://doi.org/10.1107/s160053681301430x Zobrazit plný text záznamu