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, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 A ˚ ] 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 le...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018
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| Online Access: | http://eprints.sunway.edu.my/742/ http://eprints.sunway.edu.my/742/1/Tiekink%20E%207%20Methyl%205%20%5B4%20methylbenzene....pdf |
| _version_ | 1848801889258307584 |
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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 |
| building | SU Institutional Repository |
| collection | Online Access |
| description | In the title indole derivative, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 A ˚ ] 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....(C6ring of indole) and S—O.... 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. |
| first_indexed | 2025-11-14T21:14:37Z |
| format | Article |
| id | sunway-742 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:37Z |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-7422020-10-07T09:17:00Z http://eprints.sunway.edu.my/742/ 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. * QD Chemistry In the title indole derivative, C17H15NO4S, the fused dioxolo-indole system is essentially planar [r.m.s. deviation of the 12 fitted atoms = 0.0249 A ˚ ] 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....(C6ring of indole) and S—O.... 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 Article PeerReviewed text en http://eprints.sunway.edu.my/742/1/Tiekink%20E%207%20Methyl%205%20%5B4%20methylbenzene....pdf Ali, Akbar and Zukerman-Schpector, Julio and Weber Paixão, Márcio and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) 7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis. Acta Crystallographica Section E Crystallographic Communications, 74 (2). pp. 184-188. ISSN 2056-9890 http://dx.doi.org/10.1107/S2056989018000889 doi:10.1107/S2056989018000889 |
| spellingShingle | QD Chemistry 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 | QD Chemistry |
| url | http://eprints.sunway.edu.my/742/ http://eprints.sunway.edu.my/742/ http://eprints.sunway.edu.my/742/ http://eprints.sunway.edu.my/742/1/Tiekink%20E%207%20Methyl%205%20%5B4%20methylbenzene....pdf |