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7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis
In the title indole derivative, C(17)H(15)NO(4)S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the molecule has the shape of...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956333/ https://www.ncbi.nlm.nih.gov/pubmed/29850050 http://dx.doi.org/10.1107/S2056989018000889 |
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author | Ali, Akbar Zukerman-Schpector, Julio Weber Paixão, Márcio Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Ali, Akbar Zukerman-Schpector, Julio Weber Paixão, Márcio Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Ali, Akbar |
collection | PubMed |
description | In the title indole derivative, C(17)H(15)NO(4)S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the molecule has the shape of the letter L. In the crystal, supramolecular layers in the ab plane are formed via weak 4-tolyl-C—H⋯π(C(6)-ring of indole) and S—O⋯π(1,3-dioxole) contacts. The aforementioned interactions along with interatomic H⋯H and H⋯O contacts are all shown to make significant contributions to the calculated Hirshfeld surfaces. |
format | Online Article Text |
id | pubmed-5956333 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59563332018-05-30 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis Ali, Akbar Zukerman-Schpector, Julio Weber Paixão, Márcio Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications In the title indole derivative, C(17)H(15)NO(4)S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 Å] and is effectively perpendicular to the appended 4-tolyl ring, forming a dihedral angle of 89.95 (6)°. Overall, the molecule has the shape of the letter L. In the crystal, supramolecular layers in the ab plane are formed via weak 4-tolyl-C—H⋯π(C(6)-ring of indole) and S—O⋯π(1,3-dioxole) contacts. The aforementioned interactions along with interatomic H⋯H and H⋯O contacts are all shown to make significant contributions to the calculated Hirshfeld surfaces. International Union of Crystallography 2018-01-19 /pmc/articles/PMC5956333/ /pubmed/29850050 http://dx.doi.org/10.1107/S2056989018000889 Text en © Ali et al. 2018 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 Ali, Akbar Zukerman-Schpector, Julio Weber Paixão, Márcio Jotani, Mukesh M. Tiekink, Edward R. T. 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title | 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title_full | 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title_fullStr | 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title_full_unstemmed | 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title_short | 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis |
title_sort | 7-methyl-5-[(4-methylbenzene)sulfonyl]-2h,5h-[1,3]dioxolo[4,5-f]indole: crystal structure and hirshfeld analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956333/ https://www.ncbi.nlm.nih.gov/pubmed/29850050 http://dx.doi.org/10.1107/S2056989018000889 |
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