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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2018
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| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/742/1/Tiekink%20E%207%20Methyl%205%20%5B4%20methylbenzene....pdf http://eprints.sunway.edu.my/742/ http://dx.doi.org/10.1107/S2056989018000889 |
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| Summary: | 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. |
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