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Crystallographic, spectroscopic and thermal studies of 1-(4-bromophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1H-pyrazole.
Moreno-Suárez, Erika; Avila-Acosta, Rafael; Sánchez-Ramírez, Karen; Castillo, Juan Carlos; Macías, Mario A.
Afiliação
  • Moreno-Suárez E; Disciplinary Elective V, Escuela de Ciencias Química, Universidad Pedagógica y Tecnológica de Colombia, Avenida Central del Norte 39-115, Tunja 150003, Colombia.
  • Avila-Acosta R; Disciplinary Elective V, Escuela de Ciencias Química, Universidad Pedagógica y Tecnológica de Colombia, Avenida Central del Norte 39-115, Tunja 150003, Colombia.
  • Sánchez-Ramírez K; Disciplinary Elective V, Escuela de Ciencias Química, Universidad Pedagógica y Tecnológica de Colombia, Avenida Central del Norte 39-115, Tunja 150003, Colombia.
  • Castillo JC; Disciplinary Elective V, Escuela de Ciencias Química, Universidad Pedagógica y Tecnológica de Colombia, Avenida Central del Norte 39-115, Tunja 150003, Colombia.
  • Macías MA; Crystallography and Chemistry of Materials, CrisQuimMat, Chemistry Department, Universidad de Los Andes, Cra. 1 No. 18A-12, Bogotá 111711, Colombia.
Acta Crystallogr C Struct Chem ; 79(Pt 11): 472-479, 2023 Nov 01.
Article em En | MEDLINE | ID: mdl-37874208
The new title pyrrole-pyrazole derivative, C16H16BrN3, was synthesized through a citric acid-catalyzed Paal-Knorr reaction between acetonylacetone and 1-(4-bromophenyl)-3-methyl-1H-pyrazol-5-amine under mild reaction conditions. This synthetic protocol is noteworthy for its utilization of stoichiometric amounts of the reactants, an ecofriendly solvent and a cost-effective, non-toxic and biodegradable organocatalyst. A comprehensive understanding of the molecular structure was gained through spectroscopic, thermal and X-ray crystallographic analyses. The crystal structure is characterized by weak interactions, where only C-H...π connections contribute to the hydrogen-bond contacts. The supramolecular assembly is controlled by dispersion forces. However, the energy frameworks demonstrate that these forces act in three dimensions, providing enough stability, as observed in TGA-DSC (thermogravimetric analysis-differential scanning calorimetry) studies.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr C Struct Chem Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Reino Unido

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr C Struct Chem Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Reino Unido