Cargando…

2-Chloro­ethyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate

In the title compound, C(13)H(12)BrClO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. There is a mean deviation of 0.016 (4) Å from the least-squares plane defined by the nine constituent benzofuran atoms. The cr...

Descripción completa

Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977709/
https://www.ncbi.nlm.nih.gov/pubmed/21583845
http://dx.doi.org/10.1107/S1600536809012847
Descripción
Sumario:In the title compound, C(13)H(12)BrClO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. There is a mean deviation of 0.016 (4) Å from the least-squares plane defined by the nine constituent benzofuran atoms. The crystal structure is stabilized by aromatic π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.689 (7) Å]and by a weak C—H⋯π interaction between an H atom of the methylene group bonded to the carboxylate O atom and the benzene ring of an adjacent molecule. In addition, the crystal structure exhibits weak non-classical inter­molecular C—H⋯O hydrogen bonds. The chloro­ethyl group is disordered over two positions, with refined site-occupancy factors of 0.767 (6) and 0.233 (6).