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Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate
In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydropyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, molecule...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394006/ https://www.ncbi.nlm.nih.gov/pubmed/22798871 http://dx.doi.org/10.1107/S1600536812027936 |
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| author | Fun, Hoong-Kun Ooi, Chin Wei Garudachari, B. Shivananda, Kammasandra Nanjunda Isloor, Arun M. |
| author_facet | Fun, Hoong-Kun Ooi, Chin Wei Garudachari, B. Shivananda, Kammasandra Nanjunda Isloor, Arun M. |
| author_sort | Fun, Hoong-Kun |
| collection | PubMed |
| description | In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydropyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, molecules are linked via N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C—H⋯π interactions. |
| format | Online Article Text |
| id | pubmed-3394006 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-33940062012-07-13 Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate Fun, Hoong-Kun Ooi, Chin Wei Garudachari, B. Shivananda, Kammasandra Nanjunda Isloor, Arun M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydropyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, molecules are linked via N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C—H⋯π interactions. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394006/ /pubmed/22798871 http://dx.doi.org/10.1107/S1600536812027936 Text en © Fun et al. 2012 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 Fun, Hoong-Kun Ooi, Chin Wei Garudachari, B. Shivananda, Kammasandra Nanjunda Isloor, Arun M. Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title | Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title_full | Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title_fullStr | Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title_full_unstemmed | Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title_short | Dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| title_sort | dimethyl 4-[3-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate dihydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394006/ https://www.ncbi.nlm.nih.gov/pubmed/22798871 http://dx.doi.org/10.1107/S1600536812027936 |
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