
pmid: 28435725
pmc: PMC5382626
In the anion of the title salt hydrate, H5N2+·C7H5N2O4−·2H2O, the carboxylate and nitro groups lie out of the plane of the benzene ring to which they are bound [dihedral angles = 18.80 (10) and 8.04 (9)°, respectively], and as these groups are conrotatory, the dihedral angle between them is 26.73 (15)°. An intramolecular amino-N—H...O(carboxylate) hydrogen bond is noted. The main feature of the crystal packing is the formation of a supramolecular chain along thebaxis, with a zigzag topology, sustained by charge-assisted water-O—H...O(carboxylate) hydrogen bonds and comprising alternating twelve-membered {...OCO...HOH}2and eight-membered {...O...HOH}2synthons. Each ammonium-N—H atom forms a charge-assisted hydrogen bond to a water molecule and, in addition, one of these forms a hydrogen bond with a nitro-O atom. The amine-N—H atoms form hydrogen bonds to carboxylate-O and water-O atoms, and the amine N atom accepts a hydrogen bond from an amino-H atom. The hydrogen bonds lead to a three-dimensional architecture. An analysis of the Hirshfeld surface highlights the major contribution of O...H/H...O hydrogen bonding to the overall surface,i.e. 46.8%, compared with H...H contacts (32.4%).
Halogen Bonding, crystal structure, carboxylate, Chemistry and Applications of Metal-Organic Frameworks, Organic chemistry, Research Communications, Inorganic Chemistry, FOS: Chemical sciences, Stereochemistry, salt, Hirshfeld surface analysis, Physical and Theoretical Chemistry, Hydrogen bond, Noncovalent Interactions in Molecular Crystals and Supramolecular Chemistry, Crystallography, Crystal structure, Molecule, Hydrogen Bonding, hydrogen bonding, Chemical Crystallography, Hydrogen Bonding Interactions, Chemistry, QD901-999, Physical Sciences, Dihedral angle, Carboxylate, Supramolecular chemistry
Halogen Bonding, crystal structure, carboxylate, Chemistry and Applications of Metal-Organic Frameworks, Organic chemistry, Research Communications, Inorganic Chemistry, FOS: Chemical sciences, Stereochemistry, salt, Hirshfeld surface analysis, Physical and Theoretical Chemistry, Hydrogen bond, Noncovalent Interactions in Molecular Crystals and Supramolecular Chemistry, Crystallography, Crystal structure, Molecule, Hydrogen Bonding, hydrogen bonding, Chemical Crystallography, Hydrogen Bonding Interactions, Chemistry, QD901-999, Physical Sciences, Dihedral angle, Carboxylate, Supramolecular chemistry
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