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3-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide ethanol monosolvate
The asymmetric unit of the title compound, C(18)H(18)ClN(3)OS·C(2)H(5)OH, comprises a pyrazoline derivative and an ethanol solvent molecule. In the molecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the ethoxyphenyl substituent as the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629506/ https://www.ncbi.nlm.nih.gov/pubmed/23634024 http://dx.doi.org/10.1107/S1600536813005369 |
Sumario: | The asymmetric unit of the title compound, C(18)H(18)ClN(3)OS·C(2)H(5)OH, comprises a pyrazoline derivative and an ethanol solvent molecule. In the molecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the ethoxyphenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The ethoxy group is coplanar with the attached benzene ring [C—O—C—C(methyl) = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline molecules are linked by N—H⋯O(ethoxy) hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol molecules by N—H⋯O(ethanol) and O(ethanol)—H⋯S hydrogen bonds. C—H⋯π interactions are also present. |
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