Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate

Abstract

In the title hydrate, C11H11NO6·H2O, the organic molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intramolecular O—H...O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O—H...O hydrogen bond to the water molecule and accepts a similar bond from another water molecule. The other –CO2H group forms a carboxylic acid inversion dimer, thereby forming an R22(8) loop. These bonds, along with N—H...O and C—H...O interactions, generate a three-dimensional network.

Keywords

• crystal structure
• 2-hydroxybenzoic acid
• hydrate
• hydrogen bonding