Crystal structure of N-(2-hydroxyethyl)-5-nitroisophthalamic acid monohydrate

Acta Crystallographica Section E(2014)

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摘要
In the title compound, C10H10N2O6·H2O, the carboxylic acid group and the nitro group are essentially coplanar with the benzene ring [maximum deviation = 0.0264 (9) Å], while the amide group is oriented at a dihedral angle of 9.22 (5)° with respect to the benzene ring. In the crystal, classical O—H...O and N—H...O hydrogen bonds and weak C—H...O interactions link the organic molecules and water molecules of crystallization into a three-dimensional supramolecular architecture.
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关键词
crystal structure,isophthalamic acid,hydrogen bonding,C—H...O interactions,X-ray contrast media
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