The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State-Reference-Cited by-同舟云学术

The Structure and Dynamic Properties of 1H-Pyrazole-4-Carboxylic Acids in the Solid State

Published:2013-06-01 Issue:6-7 Volume:227 Page:841-856
ISSN:2196-7156
Container-title:Zeitschrift für Physikalische Chemie
language:en
Short-container-title:

Author:

Infantes Lourdes,García M. Ángeles¹,López Concepción¹,Claramunt Rosa M.¹,Elguero José²

Affiliation:

1. Universidad Nacional de Educación a Distancia (UNED), Facultad de Ciencias, Madrid, Spanien

2. CSIC, Instituto de Química Médica, Madrid, Spanien

Abstract

Abstract The structure of three simple pyrazole-4-carboxylic acids unsubstituted in position 1 (NH derivatives) 1H-pyrazole-4-carboxylic acid (1), 3(5)-methyl-1H-pyrazole-4-carboxylic acid (2) and 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (3) are discussed based on crystallographic results (two new structures) and solid-state NMR (CPMAS). Compounds 1 and 3 present polymorphism and one of the polymorphs of each compound shows solid-state proton transfer (SSPT). Compound 2 presents tautomerism that has been studied by NMR, both in the solid-state and in solution at low temperature.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry

Link

https://www.degruyter.com/document/doi/10.1524/zpch.2013.0377/pdf

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