The molecules of ethyl 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoate, C13H15N3O2, are linked by two independent N-H...O hydrogen bonds into a chain of edge-fused and alternating R(4)2(8) and R(2)2(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, C15H19N3O2, into sheets of alternating R(2)2(20) and R(6)6(32) rings. In 4-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid monohydrate, C11H11N3O2.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.
|Number of pages||5|
|Journal||Acta Crystallographica Section C, Crystal Structure Communications|
|Early online date||12 Dec 2006|
|Publication status||Published - Jan 2007|
Portilla, J., Mata, E. G., Nogueras, M., Cobo, J., Low, J. N., & Glidewell, C. (2007). Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions. Acta Crystallographica Section C, Crystal Structure Communications, 63(1), O21-O25. https://doi.org/10.1107/S0108270106050360