2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring

Castro, Edison Y Insuasty, Henry Y Insuasty, Braulio Y Cobo, Justo Y Glidewell, Christopher (2014) 2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring. Acta Crystallographica Section C Structural Chemistry, C70 (-). pp. 1064-1068. ISSN 2053-2296

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URL Oficial: https://doi.org/10.1107/S205322961402244X

Resumen

The title compound, C18H18N4OS2, was prepared by reaction of S,S-diethyl 2-thenoylimidodi­thio­carbonate with 5-amino-3-(4-methyl­phen­yl)-1H-pyrazole using microwave irradiation under solvent-free conditions. In the mol­ecule, the thio­phene unit is disordered over two sets of atomic sites, with occupancies of 0.814 (4) and 0.186 (4), and the bonded distances provide evidence for polarization in the acyl­thio­urea fragment and for aromatic type delocalization in the pyrazole ring. An intra­molecular N-H...O hydrogen bond is present, forming an S(6) motif, and mol­ecules are linked by N-H...O and N-H...N hydrogen bonds to form a ribbon in which centrosymmetric R22(4) rings, built from N-H...O hydrogen bonds and flanked by inversion-related pairs of S(6) rings, alternate with centrosymmetric R22(6) rings built from N-H...N hydrogen bonds.

Tipo de Elemento: Artículo
Palabras Clave: Keywords: crystal structure; iso­thio­urea; thio­phene; pharmacological activity; charge-assisted hydrogen bonding; microwave irradiation; solvent-free conditions; mol­ecular ribbons.
Asunto: Q Ciencias > QD Chemistry
Division: Facultad de Ciencias Exactas y Naturales > Programa de Química > Productividad
Depósito de Usuario: doctor HENRY INSUASTY
Fecha Deposito: 31 Jan 2017 22:23
Ultima Modificación: 31 Jan 2017 22:50
URI: http://sired.udenar.edu.co/id/eprint/3660

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