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4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate
In the cation of the title organic ion pair compound, C(23)H(20)ClN(2)O(3) (+)·CH(3)O(−), the cyclohexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14 (7) and 73.18 (9)°. In the crystal, centrosymmetrically related cations are lin...
| 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/PMC3297885/ https://www.ncbi.nlm.nih.gov/pubmed/22412688 http://dx.doi.org/10.1107/S1600536812007088 |
| _version_ | 1782225929568780288 |
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| author | Sun, Rong Wang, Ke Wu, Dong-Dong Huang, Wei Ou, Yang-Bing |
| author_facet | Sun, Rong Wang, Ke Wu, Dong-Dong Huang, Wei Ou, Yang-Bing |
| author_sort | Sun, Rong |
| collection | PubMed |
| description | In the cation of the title organic ion pair compound, C(23)H(20)ClN(2)O(3) (+)·CH(3)O(−), the cyclohexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14 (7) and 73.18 (9)°. In the crystal, centrosymmetrically related cations are linked into a dimer by pairs of N—H⋯N hydrogen bonds, generating an R (2) (2)(12) ring motif. The anion interacts with the dimer through an N—H⋯O hydrogen bond. π–π interactions between pyran rings of adjacent dimers, with a centroid–centroid distance of 3.861 (2) Å, are also observed. |
| format | Online Article Text |
| id | pubmed-3297885 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32978852012-03-12 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate Sun, Rong Wang, Ke Wu, Dong-Dong Huang, Wei Ou, Yang-Bing Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title organic ion pair compound, C(23)H(20)ClN(2)O(3) (+)·CH(3)O(−), the cyclohexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14 (7) and 73.18 (9)°. In the crystal, centrosymmetrically related cations are linked into a dimer by pairs of N—H⋯N hydrogen bonds, generating an R (2) (2)(12) ring motif. The anion interacts with the dimer through an N—H⋯O hydrogen bond. π–π interactions between pyran rings of adjacent dimers, with a centroid–centroid distance of 3.861 (2) Å, are also observed. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297885/ /pubmed/22412688 http://dx.doi.org/10.1107/S1600536812007088 Text en © Sun 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 Sun, Rong Wang, Ke Wu, Dong-Dong Huang, Wei Ou, Yang-Bing 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title | 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title_full | 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title_fullStr | 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title_full_unstemmed | 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title_short | 4-(4-Chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-2-aminium methanolate |
| title_sort | 4-(4-chlorophenyl)-3-cyano-7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromen-2-aminium methanolate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297885/ https://www.ncbi.nlm.nih.gov/pubmed/22412688 http://dx.doi.org/10.1107/S1600536812007088 |
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