TY - JOUR
T1 - Three substituted 4-pyrazolylbenzoates
T2 - hydrogen-bonded supramolecular structures in one, two and three dimensions
AU - Portilla, J.
AU - Mata, E. G.
AU - Nogueras, M.
AU - Cobo, J.
AU - Low, John N
AU - Glidewell, C.
PY - 2007/1
Y1 - 2007/1
N2 - 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.
AB - 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.
U2 - 10.1107/S0108270106050360
DO - 10.1107/S0108270106050360
M3 - Article
SN - 0108-2701
VL - 63
SP - O21-O25
JO - Acta Crystallographica Section C, Crystal Structure Communications
JF - Acta Crystallographica Section C, Crystal Structure Communications
IS - 1
ER -