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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 |
| _version_ | 1782194955011227648 |
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| author | Abdel-Aziz, Hatem A. Bari, Ahmed Ng, Seik Weng |
| author_facet | Abdel-Aziz, Hatem A. Bari, Ahmed Ng, Seik Weng |
| author_sort | Abdel-Aziz, Hatem A. |
| collection | PubMed |
| description | 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. |
| format | Text |
| id | pubmed-3011493 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30114932010-12-30 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate Abdel-Aziz, Hatem A. Bari, Ahmed Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2010-11-27 /pmc/articles/PMC3011493/ /pubmed/21589616 http://dx.doi.org/10.1107/S160053681004883X Text en © Abdel-Aziz et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Abdel-Aziz, Hatem A. Bari, Ahmed Ng, Seik Weng 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title | 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title_full | 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title_fullStr | 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title_full_unstemmed | 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title_short | 3,4,7-Trimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| title_sort | 3,4,7-trimethyl-2-(4-methylphenyl)-2h-pyrazolo[3,4-d]pyridazin-5-ium thiocyanate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011493/ https://www.ncbi.nlm.nih.gov/pubmed/21589616 http://dx.doi.org/10.1107/S160053681004883X |
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