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Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione
The title compound, C(22)H(22)N(2)O(5), contains two conformationally similar molecules (A and B) in its the asymmetric unit (r.m.s. overlay fit for the 29 non-H atoms = 0.194 Å). In each molecule, the lactone ring has an envelope conformation with the spiro C atom as the flap. In the crystal, A+A...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420094/ https://www.ncbi.nlm.nih.gov/pubmed/25995911 http://dx.doi.org/10.1107/S2056989015006386 |
| _version_ | 1782369668698210304 |
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| author | Savithri, M. P. Suresh, M. Raghunathan, R. Raja, R. SubbiahPandi, A. |
| author_facet | Savithri, M. P. Suresh, M. Raghunathan, R. Raja, R. SubbiahPandi, A. |
| author_sort | Savithri, M. P. |
| collection | PubMed |
| description | The title compound, C(22)H(22)N(2)O(5), contains two conformationally similar molecules (A and B) in its the asymmetric unit (r.m.s. overlay fit for the 29 non-H atoms = 0.194 Å). In each molecule, the lactone ring has an envelope conformation with the spiro C atom as the flap. In the crystal, A+A and B+B inversion dimers linked by pairs of N—H⋯O hydrgen bonds occur; in both cases, R (2) (2)(8) loops are generated. A weak C—H⋯O interaction is also observed, which links the dimers into [010] chains. |
| format | Online Article Text |
| id | pubmed-4420094 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-44200942015-05-20 Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione Savithri, M. P. Suresh, M. Raghunathan, R. Raja, R. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(22)H(22)N(2)O(5), contains two conformationally similar molecules (A and B) in its the asymmetric unit (r.m.s. overlay fit for the 29 non-H atoms = 0.194 Å). In each molecule, the lactone ring has an envelope conformation with the spiro C atom as the flap. In the crystal, A+A and B+B inversion dimers linked by pairs of N—H⋯O hydrgen bonds occur; in both cases, R (2) (2)(8) loops are generated. A weak C—H⋯O interaction is also observed, which links the dimers into [010] chains. International Union of Crystallography 2015-04-09 /pmc/articles/PMC4420094/ /pubmed/25995911 http://dx.doi.org/10.1107/S2056989015006386 Text en © Savithri et al. 2015 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 | Data Reports Savithri, M. P. Suresh, M. Raghunathan, R. Raja, R. SubbiahPandi, A. Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title | Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title_full | Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title_fullStr | Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title_full_unstemmed | Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title_short | Crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| title_sort | crystal structure of 11-(2,3-dimethoxyphenyl)-14-methyl-12-oxa-8,14-diazatetracyclo[8.3.3.0(1,10).0(2,7)]hexadeca-2(7),3,5-triene-9,13-dione |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420094/ https://www.ncbi.nlm.nih.gov/pubmed/25995911 http://dx.doi.org/10.1107/S2056989015006386 |
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