2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry

• Main Authors: Caracelli, Ignez, Zukerman-Schpector, Julio, Traesel, Henrique J., Olivato, Paulo R., Jotani, Mukesh M., Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/1043/1/Tiekink%202-4%20Bromophenyl%20ActaCryst%202019%20E75%20816.pdf; http://eprints.sunway.edu.my/1043/; http://doi.org/10.1107/S2056989019006765

The title compound, C15H13BrO2S, comprises three different substituents bound to a central (and chiral) methine-C atom, i.e. (4-bromophenyl)sulfanyl, benzaldehyde and methoxy residues: crystal symmetry generates a racemic mixture. A twist in the molecule is evident about the methine-C—C(carbonyl) bo...