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2,2'-[(4,6-Dinitro-1,3-phenyl-ene)dioxy]diacetic acid hemihydrate.

ABSTRACT: The skeletons of both independent mol-ecules of the carboxylic acid hemihydrate, C(10)H(8)N(2)O(10)·0.5H(2)O, are approximately planar [maximum deviations 0.642?(3) and 0.468?(1)?Å]. The deviations arise from the twisting of the nitro groups with respect to the aromatic rings [dihedral angles = 3.24?(2) and 27.01?(1), and 7.87?(1) and 16.37?(2)° in the two molecules]. The crystal structure features inter-molecular O-H?O hydrogen bonds, which the link the dicarboxylic acid and water mol-ecules into a supra-molecular layer network.

SUBMITTER: Ma DS

PROVIDER: S-EPMC2970371 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2,2'-[(4,6-Dinitro-1,3-phenyl-ene)dioxy]diacetic acid hemihydrate.

Ma Dong-Sheng DS Zhang Xiu-Mei XM Zhang Hua H Mu Dan D Hou Guang-Feng GF

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

The skeletons of both independent mol-ecules of the carboxylic acid hemihydrate, C(10)H(8)N(2)O(10)·0.5H(2)O, are approximately planar [maximum deviations 0.642 (3) and 0.468 (1) Å]. The deviations arise from the twisting of the nitro groups with respect to the aromatic rings [dihedral angles = 3.24 (2) and 27.01 (1), and 7.87 (1) and 16.37 (2)° in the two molecules]. The crystal structure features inter-molecular O-H⋯O hydrogen bonds, which the link the dicarboxylic acid and water mol-ecules in ...[more]

PMID: 21577911

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