Crystal structure and Hirshfeld surface analysis of 3-(bromomethyl)-2-[1,2-dibromo-2-(6-nitrobenzo[ d ][1,3]dioxol-5-yl)ethyl]-1-(phenylsulfonyl)-1 H -indole chloroform 0.585-solvate

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 79; no. 9; pp. 813 - 816
• Main Authors: Achyuta, Nagaraj, Kanagasabai, Somarathinam, Vinayagam, Pavunkumar, Mohanakrishnan, Arasambattu K., Gautham, Namasivayam, Gunasekaran, Krishnasamy
• Format: Journal Article
• Language: English
• Published: 01.09.2023
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989023007120

The title indole derivative, C 24 H 17 Br 3 N 2 O 6 S, crystallizes with a partial occupancy [0.585 (4)] CHCl 3 solvent molecule. The dihedral angles between the indole ring system and pendant nitrobenzodioxolane rings system and phenylsulfonyl ring are 4.81 (14) and 72.24 (19)°, respectively. In the crystal, the indole molecules are linked to each other and to the chloroform molecule by weak C—H...O, C—H...Cl, C—H...π, C—Br...π and C—Cl...π and aromatic π–π stacking interactions. A Hirshfeld surface analysis was carried out and the intermolecular contacts with the most significant contributions are H...O/O...H (24.3%), H...H (18.4%), Br...H/H...Br (16.8%) and C...H/H...C (8.4%).