7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

• Main Authors: Ali, Akbar, Zukerman-Schpector, Julio, Weber Paixão, Márcio, Jotani, Mukesh M., Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2018
• Subjects: QD Chemistry
• 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
• Institution: Sunway University

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.