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5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate
In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83 (16)°. One of the N atoms of the organic molecule is disordered over t...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009066/ https://www.ncbi.nlm.nih.gov/pubmed/21588944 http://dx.doi.org/10.1107/S1600536810039310 |
| _version_ | 1782194597599903744 |
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| author | Kumar, Raju Suresh Osman, Hasnah Perumal, Subbu Hemamalini, Madhukar Fun, Hoong-Kun |
| author_facet | Kumar, Raju Suresh Osman, Hasnah Perumal, Subbu Hemamalini, Madhukar Fun, Hoong-Kun |
| author_sort | Kumar, Raju Suresh |
| collection | PubMed |
| description | In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83 (16)°. One of the N atoms of the organic molecule is disordered over two positions in a 0.52 (4):0.48 (4) ratio and the two solvent molecules are partially occupied and show high displacement parameters. In the crystal, molecules are connected by intermolecular O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. |
| format | Text |
| id | pubmed-3009066 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30090662010-12-30 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate Kumar, Raju Suresh Osman, Hasnah Perumal, Subbu Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83 (16)°. One of the N atoms of the organic molecule is disordered over two positions in a 0.52 (4):0.48 (4) ratio and the two solvent molecules are partially occupied and show high displacement parameters. In the crystal, molecules are connected by intermolecular O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2010-10-09 /pmc/articles/PMC3009066/ /pubmed/21588944 http://dx.doi.org/10.1107/S1600536810039310 Text en © Kumar 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 Kumar, Raju Suresh Osman, Hasnah Perumal, Subbu Hemamalini, Madhukar Fun, Hoong-Kun 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title | 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title_full | 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title_fullStr | 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title_full_unstemmed | 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title_short | 5-[(E)-Benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| title_sort | 5-[(e)-benzylidene]-2-hydroxy-10-methyl-8-phenyl-3,10-diazahexacyclo[10.7.1.1(3,7).0(2,11).0(7,11).0(16,20)]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009066/ https://www.ncbi.nlm.nih.gov/pubmed/21588944 http://dx.doi.org/10.1107/S1600536810039310 |
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