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

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

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...

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Bibliographic Details
Main Authors: Ignez Caracelli, Julio Zukerman-Schpector, Henrique J. Traesel, Paulo R. Olivato, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2019-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
sulfanyl
phenylethanone
Hirshfeld surface analysis
NCI plots
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019006765

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989019006765

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