Ontology highlight
ABSTRACT:
SUBMITTER: Moreno-Fuquen R
PROVIDER: S-EPMC3629618 | biostudies-literature | 2013 Apr
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20130323 Pt 4
In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° for the para nitro group. The central ester moiety, -C-(C=O)-O-, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229 Å) and forms dihedral angles of 7.37 (14)° with the chloro-substituted benz ...[more]