Cargando…
Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine
Molecules of the title compound, C(16)H(16)N(2)O(2), occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dih...
| Autores principales: | , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472765/ https://www.ncbi.nlm.nih.gov/pubmed/32939302 http://dx.doi.org/10.1107/S2056989020010646 |
| _version_ | 1783579049635872768 |
|---|---|
| author | Çınar, Emine Berrin Yeşilbağ, Semanur Doğan, Onur Erman Ağar, Erbil Dege, Necmi Saif, Eiad |
| author_facet | Çınar, Emine Berrin Yeşilbağ, Semanur Doğan, Onur Erman Ağar, Erbil Dege, Necmi Saif, Eiad |
| author_sort | Çınar, Emine Berrin |
| collection | PubMed |
| description | Molecules of the title compound, C(16)H(16)N(2)O(2), occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dihedral angle of 72.01 (2)°. In the crystal, molecules are linked by pairs of C—H⋯O and N—H⋯C contacts into layers parallel to (100). H⋯H contacts make the largest contribution to the Hirshfeld surface (58.9%). |
| format | Online Article Text |
| id | pubmed-7472765 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2020 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-74727652020-09-15 Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine Çınar, Emine Berrin Yeşilbağ, Semanur Doğan, Onur Erman Ağar, Erbil Dege, Necmi Saif, Eiad Acta Crystallogr E Crystallogr Commun Research Communications Molecules of the title compound, C(16)H(16)N(2)O(2), occupy special positions on the twofold rotation axes. The heterocyclic ring adopts a slightly twisted envelope conformation with one of the two junction carbon atoms as the flap. The mean planes through the two halves of the molecule form a dihedral angle of 72.01 (2)°. In the crystal, molecules are linked by pairs of C—H⋯O and N—H⋯C contacts into layers parallel to (100). H⋯H contacts make the largest contribution to the Hirshfeld surface (58.9%). International Union of Crystallography 2020-08-18 /pmc/articles/PMC7472765/ /pubmed/32939302 http://dx.doi.org/10.1107/S2056989020010646 Text en © Çınar et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
| spellingShingle | Research Communications Çınar, Emine Berrin Yeşilbağ, Semanur Doğan, Onur Erman Ağar, Erbil Dege, Necmi Saif, Eiad Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| title_sort | synthesis, crystal structure and hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472765/ https://www.ncbi.nlm.nih.gov/pubmed/32939302 http://dx.doi.org/10.1107/S2056989020010646 |
| work_keys_str_mv | AT cınaremineberrin synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine AT yesilbagsemanur synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine AT doganonurerman synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine AT agarerbil synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine AT degenecmi synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine AT saifeiad synthesiscrystalstructureandhirshfeldsurfaceanalysisof17dimethyl5a611a12tetrahydrobenzobbenzo5614oxazino23e14oxazine |