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ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(15)H(14)N(4)O(5), with different conformations for the meth-oxy groups. The mol-ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37?(18)° in one and 7.31?(18)° in the other. In both mol-ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro-benzene plane being 0.0310?(3)?Å in one mol-ecule and 0.0650?(3)?Å in the other. In each mol-ecule, an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by weak C-H?O inter-actions and stacked along the a axis through ?-? inter-actions, with centroid-centroid distances of 3.651?(2) and 3.721?(2)?Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1?(3)%.


PROVIDER: S-EPMC3393954 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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