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3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate
1,1′-[5-Methyl-1-(4-methylphenyl)-1H-pyrazole-3,4-diyl)diethanone condenses with thiosemicarbazide in the presence of acetic acid to form the title salt, C(15)H(17)N(4) (+)·NCS(−). The fused-ring system of the cation is almost planar (r.m.s. deviation = 0.020 Å) and the aromatic substituent is...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011493/ https://www.ncbi.nlm.nih.gov/pubmed/21589616 http://dx.doi.org/10.1107/S160053681004883X |
Sumario: | 1,1′-[5-Methyl-1-(4-methylphenyl)-1H-pyrazole-3,4-diyl)diethanone condenses with thiosemicarbazide in the presence of acetic acid to form the title salt, C(15)H(17)N(4) (+)·NCS(−). The fused-ring system of the cation is almost planar (r.m.s. deviation = 0.020 Å) and the aromatic substituent is aligned at an angle of 48.2 (1)° with respect to the mean plane of the fused-ring system. The N atom at the 5-position is protonated and forms a N—H⋯N hydrogen bond to the thiocyanate cointer-ion. |
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