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Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate
The title compound, C(21)H(18)N(2)O(4), obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenylene-fused and one methine C atom deviating by 0.931 (1), 0.887 (...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257400/ https://www.ncbi.nlm.nih.gov/pubmed/25553013 http://dx.doi.org/10.1107/S1600536814023344 |
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| author | Zaytsev, Vladimir P. Orlova, Daria N. Gurbanov, Atash V. Zubkov, Fedor I. Khrustalev, Victor N. |
| author_facet | Zaytsev, Vladimir P. Orlova, Daria N. Gurbanov, Atash V. Zubkov, Fedor I. Khrustalev, Victor N. |
| author_sort | Zaytsev, Vladimir P. |
| collection | PubMed |
| description | The title compound, C(21)H(18)N(2)O(4), obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenylene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, molecules form centrosymmetric dimers through pairs of C—H⋯O hydrogen bonds. |
| format | Online Article Text |
| id | pubmed-4257400 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-42574002014-12-31 Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate Zaytsev, Vladimir P. Orlova, Daria N. Gurbanov, Atash V. Zubkov, Fedor I. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(21)H(18)N(2)O(4), obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenylene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, molecules form centrosymmetric dimers through pairs of C—H⋯O hydrogen bonds. International Union of Crystallography 2014-11-05 /pmc/articles/PMC4257400/ /pubmed/25553013 http://dx.doi.org/10.1107/S1600536814023344 Text en © Zaytsev et al. 2014 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 Zaytsev, Vladimir P. Orlova, Daria N. Gurbanov, Atash V. Zubkov, Fedor I. Khrustalev, Victor N. Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title | Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title_full | Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title_fullStr | Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title_full_unstemmed | Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title_short | Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| title_sort | crystal strucutre of rac-methyl (11ar*,12s*,13r*,15as*,15bs*)-11-oxo-11,11a,12,13-tetrahydro-9h,15bh-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257400/ https://www.ncbi.nlm.nih.gov/pubmed/25553013 http://dx.doi.org/10.1107/S1600536814023344 |
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