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Crystal structures of two triazola-dioxola-benzenacyclononaphanes
In the title compounds, C(25)H(29)BrN(5)O(7), (I) [systematic name: (Z)-1(5)-bromo-3(2),3(2)-dimethyl-2(1)-nitro-2(2),2(3),2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-decahydro-2(1) H,6(1) H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane],...
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/PMC4518911/ https://www.ncbi.nlm.nih.gov/pubmed/26279878 http://dx.doi.org/10.1107/S205698901501141X |
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author | Viswanathan, Vijayan Rao, Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan |
author_facet | Viswanathan, Vijayan Rao, Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan |
author_sort | Viswanathan, Vijayan |
collection | PubMed |
description | In the title compounds, C(25)H(29)BrN(5)O(7), (I) [systematic name: (Z)-1(5)-bromo-3(2),3(2)-dimethyl-2(1)-nitro-2(2),2(3),2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-decahydro-2(1) H,6(1) H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane], and C(24)H(29)N(5)O(7)S, (II) [systematic name: (Z)-3(2),3(2)-dimethyl-2(7)-nitro-2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-octahydro-2(1) H,2(3) H,6(1) H-4,9-dioxa-2(5,6)-pyrrolo[1,2-c]thiazola-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane], the triazole rings adopt almost planar conformations. In (I), the fused pyrrolidine rings adopt envelope conformations with the C atoms opposite the fused N—C bond as the flap in each ring, and their mean planes are inclined to one another by 52.8 (3)°. In (II), the pyrrolidine and thiazole rings are both twisted on the fused N—C bond, and their mean planes are inclined to one another by 70.8 (2)°. In both (I) and (II), the furan ring adopts an envelope conformation with the adjacent C atom of the macrocycle as the flap. In the crystal of (I), molecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to (10-1), while in (II), molecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming helical chains propagating along [010], which are linked via C—H⋯S hydrogen bonds, forming slabs parallel to (001). |
format | Online Article Text |
id | pubmed-4518911 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189112015-08-14 Crystal structures of two triazola-dioxola-benzenacyclononaphanes Viswanathan, Vijayan Rao, Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications In the title compounds, C(25)H(29)BrN(5)O(7), (I) [systematic name: (Z)-1(5)-bromo-3(2),3(2)-dimethyl-2(1)-nitro-2(2),2(3),2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-decahydro-2(1) H,6(1) H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane], and C(24)H(29)N(5)O(7)S, (II) [systematic name: (Z)-3(2),3(2)-dimethyl-2(7)-nitro-2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-octahydro-2(1) H,2(3) H,6(1) H-4,9-dioxa-2(5,6)-pyrrolo[1,2-c]thiazola-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzenacyclononaphane], the triazole rings adopt almost planar conformations. In (I), the fused pyrrolidine rings adopt envelope conformations with the C atoms opposite the fused N—C bond as the flap in each ring, and their mean planes are inclined to one another by 52.8 (3)°. In (II), the pyrrolidine and thiazole rings are both twisted on the fused N—C bond, and their mean planes are inclined to one another by 70.8 (2)°. In both (I) and (II), the furan ring adopts an envelope conformation with the adjacent C atom of the macrocycle as the flap. In the crystal of (I), molecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to (10-1), while in (II), molecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming helical chains propagating along [010], which are linked via C—H⋯S hydrogen bonds, forming slabs parallel to (001). International Union of Crystallography 2015-06-24 /pmc/articles/PMC4518911/ /pubmed/26279878 http://dx.doi.org/10.1107/S205698901501141X Text en © Viswanathan 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 (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/2.0/uk/ |
spellingShingle | Research Communications Viswanathan, Vijayan Rao, Naga Siva Raghunathan, Raghavachary Velmurugan, Devadasan Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title | Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title_full | Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title_fullStr | Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title_full_unstemmed | Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title_short | Crystal structures of two triazola-dioxola-benzenacyclononaphanes |
title_sort | crystal structures of two triazola-dioxola-benzenacyclononaphanes |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518911/ https://www.ncbi.nlm.nih.gov/pubmed/26279878 http://dx.doi.org/10.1107/S205698901501141X |
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