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Methyl 4-methyl-sulfonyl-2-nitro-benzoate. | LitMetric

Methyl 4-methyl-sulfonyl-2-nitro-benzoate.

Acta Crystallogr Sect E Struct Rep Online

College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China.

Published: June 2010

The title compound, C(9)H(9)NO(6)S, was prepared by the reaction of methanol and thionyl chloride with 4-methyl-sulfonyl-2-nitro-benzoic acid under mild conditions. The dihedral angle between the nitro group and benzene ring is 21.33 (19)° and that between the carboxyl-ate group and the benzene ring is 72.09 (17)°. The crystal structure is stabilized by weak inter-molecular bifurcated C-H⋯O inter-actions occurring in the (100) plane.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006783PMC
http://dx.doi.org/10.1107/S1600536810021914DOI Listing

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