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

Jaime Portilla, Ernesto G. Mata, Manuel Nogueras, Justo Cobo, John N. Low, Christopher Glidewell

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

The molecules of ethyl 4-(5-amino-3-methyl-1H-pyrazol-1yl) benzoate, C13H15N3O2, are linked by two independent N-H center dot center dot center dot 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 center dot center dot center dot N and N-H center dot center dot center dot 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 center dot H2O, the molecular components are linked into a three-dimensional framework structure by a combination of five independent hydrogen bonds, two of O-H center dot center dot center dot N type and one each of O-H center dot center dot center dot O, N-H center dot center dot center dot O and N-H center dot center dot center dot N types.

Original languageEnglish
Number of pages5
JournalActa Crystallographica Section C-Crystal Structure Communications
Volume63
DOIs
Publication statusPublished - Jan 2007

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