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(4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate
The title compound, C(24)H(22)N(2)O(4)·H(2)O, was obtained by the reaction of 3,4-dimethoxybenzaldehyde, malononitrile and 5-phenylcyclohexane-1,3-dione. The cyclohexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene rin...
| 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/PMC3275081/ https://www.ncbi.nlm.nih.gov/pubmed/22347026 http://dx.doi.org/10.1107/S1600536811056285 |
| _version_ | 1782223171704848384 |
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| author | Sun, Rong Wu, Dong-Dong Wang, Ke Huang, Wei Ou, Yang-Bing |
| author_facet | Sun, Rong Wu, Dong-Dong Wang, Ke Huang, Wei Ou, Yang-Bing |
| author_sort | Sun, Rong |
| collection | PubMed |
| description | The title compound, C(24)H(22)N(2)O(4)·H(2)O, was obtained by the reaction of 3,4-dimethoxybenzaldehyde, malononitrile and 5-phenylcyclohexane-1,3-dione. The cyclohexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67 (9)°. The organic molecules are packed in a two-dimensional network parallel to the bc plane stabilized by intermolecular N—H⋯N and N—H⋯O hydrogen bonds. |
| format | Online Article Text |
| id | pubmed-3275081 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32750812012-02-15 (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate Sun, Rong Wu, Dong-Dong Wang, Ke Huang, Wei Ou, Yang-Bing Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(22)N(2)O(4)·H(2)O, was obtained by the reaction of 3,4-dimethoxybenzaldehyde, malononitrile and 5-phenylcyclohexane-1,3-dione. The cyclohexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67 (9)°. The organic molecules are packed in a two-dimensional network parallel to the bc plane stabilized by intermolecular N—H⋯N and N—H⋯O hydrogen bonds. International Union of Crystallography 2012-01-14 /pmc/articles/PMC3275081/ /pubmed/22347026 http://dx.doi.org/10.1107/S1600536811056285 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 Wu, Dong-Dong Wang, Ke Huang, Wei Ou, Yang-Bing (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title | (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title_full | (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title_fullStr | (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title_full_unstemmed | (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title_short | (4R,7S)-2-Amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate |
| title_sort | (4r,7s)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275081/ https://www.ncbi.nlm.nih.gov/pubmed/22347026 http://dx.doi.org/10.1107/S1600536811056285 |
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