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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 |
Sumario: | 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. |
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