Crystal structure of ethyl 3,5-dinitrobenzoate

Abstract

Crystals of ethyl 3,5-dinitrobenzoate are monoclinic, a= 13·856, b= 4·770, c= 18·354 Å, β= 119·59°, Z= 4, space group P2₁/c. The structure was determined with Cu-K_α diffractometer data by direct methods, and was refined by full-matrix least-squares methods to R 0·061 for 1299 observed reflexions. The carboxy- and the two nitro-groups are rotated out of the aromatic ring plane by 2°, and by 2° and 11° respectively. Bond distances and valency angles are similar to those in related molecules; in particular, C–N 1·48 Å. The ethyl group is disordered in the crystal.