Find in Library

The title compound, C7H7NO3·H2O, which crystallized as a hydrate, was obtained from an extraction of the plant species Saussurea atkinsonii of the asteraceae family collected from the hilly area (Ayubia) of Pakistan during the flowering season. The dihedral angle between the benzene ring and the carboxylate group is 25.64 (5)°. In the crystal, the packing is consolidated by N—H...O and O—H...O hydrogen bonds, as well as weak aromatic π–π stacking [centroid–centroid separation = 3.9365 (9) Å] and C=O...π interactions.