Three substituted 4-pyrazolylbenzoates: Hydrogen-bonded supramolecular structures in one, two and three dimensions

Abstract

The molecules of ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate, C 13H15N3O2, are linked by two independent N - H⋯-O hydrogen bonds into a chain of edge-fused and alternating R42(8) and R22(20) rings. A combination of N - H⋯N and N - H⋯O hydrogen bonds links the molecules of methyl 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate, C 15H19N3O2, into sheets of alternating R22(20) and R66(32) rings. In 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate, C 11H11N3O2·H2O, the molecular components are linked into a three-dimensional framework structure by a combination of five independent hydrogen bonds, two of O - H⋯N type and one each of O - H⋯O, N - H⋯O and N - H⋯N types. © 2007 International Union of Crystallography.