Three substituted 4-pyrazolylbenzoates

hydrogen-bonded supramolecular structures in one, two and three dimensions

J. Portilla, E. G. Mata, M. Nogueras, J. Cobo, John N Low, C. Glidewell

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)O21-O25
Number of pages5
JournalActa Crystallographica Section C, Crystal Structure Communications
Volume63
Issue number1
Early online date12 Dec 2006
DOIs
Publication statusPublished - Jan 2007

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Hydrogen
Hydrogen bonds
Benzoates
Molecules
Benzoic Acid
rifazone-82

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Three substituted 4-pyrazolylbenzoates : hydrogen-bonded supramolecular structures in one, two and three dimensions. / Portilla, J.; Mata, E. G.; Nogueras, M.; Cobo, J.; Low, John N; Glidewell, C.

In: Acta Crystallographica Section C, Crystal Structure Communications, Vol. 63, No. 1, 01.2007, p. O21-O25.

Research output: Contribution to journalArticle

Portilla, J. ; Mata, E. G. ; Nogueras, M. ; Cobo, J. ; Low, John N ; Glidewell, C. / Three substituted 4-pyrazolylbenzoates : hydrogen-bonded supramolecular structures in one, two and three dimensions. In: Acta Crystallographica Section C, Crystal Structure Communications. 2007 ; Vol. 63, No. 1. pp. O21-O25.
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T2 - hydrogen-bonded supramolecular structures in one, two and three dimensions

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AU - Low, John N

AU - Glidewell, C.

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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.

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