Abstract
In the title compound, C9H8N2O6, the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16)° with respect to the benzene ring. The nitro groups make dihedral angles of 4.2 (5)° and 60.21 (11)° with the benzene ring. In the crystal, molecules are linked by C—H⋯O interactions, resulting in zigzag chains.
Highlights
In the title compound, C9H8N2O6, the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16) with respect to the benzene ring
Our work is aimed at the synthesis of various isocoumarins and the title compound (I, Fig. 1) is an intermediate for their preparation
We have reported crystal structures of 2-Methyl-3,5-dinitrobenzoic acid (Tahir et al, 2009) and the title compound is its methyl ester
Summary
R factor = 0.041; wR factor = 0.097; data-to-parameter ratio = 9.7. C9H8N2O6, the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16) with respect to the benzene ring. Molecules are linked by C—H O interactions, resulting in zigzag chains
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