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2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate
In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, molecules are linked into inversion dimers with an R (2) (2)(12) motif by pairs of N—H⋯N hydrogen bonds. These dimers are further connected into chains running along the a axis by N—H⋯O hydrogen bonds. C—H⋯N and C—H⋯π int...
| 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/PMC3394003/ https://www.ncbi.nlm.nih.gov/pubmed/22798868 http://dx.doi.org/10.1107/S160053681202781X |
| _version_ | 1782237801148841984 |
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| author | Mohamed, Shaaban K. Akkurt, Mehmet Tahir, Muhammad N. Abdelhamid, Antar A. Allahverdiyev, M. A. |
| author_facet | Mohamed, Shaaban K. Akkurt, Mehmet Tahir, Muhammad N. Abdelhamid, Antar A. Allahverdiyev, M. A. |
| author_sort | Mohamed, Shaaban K. |
| collection | PubMed |
| description | In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, molecules are linked into inversion dimers with an R (2) (2)(12) motif by pairs of N—H⋯N hydrogen bonds. These dimers are further connected into chains running along the a axis by N—H⋯O hydrogen bonds. C—H⋯N and C—H⋯π interactions also feature in the packing. The cyclohexene ring adopts nearly an envelope conformation [puckering parameters are Q (T) = 0.456 (2) Å, θ = 54.6 (3)° and ϕ = 225.2 (3)°]. |
| format | Online Article Text |
| id | pubmed-3394003 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-33940032012-07-13 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate Mohamed, Shaaban K. Akkurt, Mehmet Tahir, Muhammad N. Abdelhamid, Antar A. Allahverdiyev, M. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(19)H(20)N(2)O(3)·C(3)H(6)O, molecules are linked into inversion dimers with an R (2) (2)(12) motif by pairs of N—H⋯N hydrogen bonds. These dimers are further connected into chains running along the a axis by N—H⋯O hydrogen bonds. C—H⋯N and C—H⋯π interactions also feature in the packing. The cyclohexene ring adopts nearly an envelope conformation [puckering parameters are Q (T) = 0.456 (2) Å, θ = 54.6 (3)° and ϕ = 225.2 (3)°]. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394003/ /pubmed/22798868 http://dx.doi.org/10.1107/S160053681202781X Text en © Mohamed 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 Mohamed, Shaaban K. Akkurt, Mehmet Tahir, Muhammad N. Abdelhamid, Antar A. Allahverdiyev, M. A. 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title | 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title_full | 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title_fullStr | 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title_full_unstemmed | 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title_short | 2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate |
| title_sort | 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile propan-2-one monosolvate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394003/ https://www.ncbi.nlm.nih.gov/pubmed/22798868 http://dx.doi.org/10.1107/S160053681202781X |
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