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The title acid, C8H7NO4.0.5H2O, crystallized in the centrosymmetric space group C2/c in a zwitterionic form (5-ammonio­isophthalate), with the water molecule on a twofold axis. The three ammonio H atoms and the H atom on the remaining carboxyl group, which are involved in hydrogen bonding, are ordered. Three intermolecular N—H...O hydrogen bonds have N...O distances ranging from 2.762 (2) to 2.905 (2) Å and N—H...O angles ranging from 155 (2) to 163 (2)°. Two inter­molecular O—H...O hydrogen bonds have O...O distances of 2.536 (2) and 2.746 (2) Å, and O—H...O angles of 178 (2) and 176 (2)°. A three-dimensional network of hydrogen bonds is present. Through basic second-level graphs involving acid-to-acid hydrogen bonds, chains are more numerous than rings.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, fg1449

hkl

Structure factor file (CIF format)
Contains datablock fg1449

CCDC reference: 130482

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