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2-Methyl-3,5-dinitro-benzoic acid.

ABSTRACT: In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C-OH groups are disordered over two sets of sites with an occupancy ratio of 0.595?(16):0.405?(16). In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds arise for both carboxyl disorder components and C-H?O bonds and weak C-H?? inter-actions consolidate the packing.

SUBMITTER: Tahir MN

PROVIDER: S-EPMC2971392 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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2-Methyl-3,5-dinitro-benzoic acid.

Tahir M Nawaz MN Raza Abdul Rauf AR Saddiqa Aisha A Danish Muhammad M Saleem Iram I

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C-OH groups are disordered over two sets of sites with an occupancy ratio of 0.595 (16):0.405 (16). In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds arise for both carboxyl disorder components and C-H⋯O bonds and weak C-H⋯π inter-actions consolidate the packing. ...[more]

PMID: 21578410

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