2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis

Caracelli, Ignez and Zukerman-Schpector, Julio and Traesel, Henrique J. and Olivato, Paulo R. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) 2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 74 (5). pp. 703-708. ISSN 2056-9890

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Official URL: http://doi.org/10.1107/S2056989018006072


The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C—C(carbonyl) bond [O—C—C—O torsion angle = 19.3 (7)⁰] leads to a dihedral angle of 22.2 (5)⁰ between the benzaldehyde and methine+methoxy residues. The chlorobenzene ring is folded to lie over the O atoms, with the dihedral angle between the benzene rings being 42.9 (2)⁰. In the crystal, the carbonyl-O atom accepts two C—H...O interactions with methyl- and methine-C—H atoms being the donors. The result is an helical supramolecular chain aligned along the c axis; chains pack with no directional interactions between them. An analysis of the Hirshfeld surface points to the important contributions of weak H...H and C...C contacts to the molecular packing.

Item Type: Article
Uncontrolled Keywords: crystal structure; sulfanyl; phenylethanone; Hirshfeld surface analysis; NCI plots.
Subjects: Q Science > QD Chemistry
Divisions: Sunway University > School of Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021
Depositing User: Dr Janaki Sinnasamy
Related URLs:
Date Deposited: 30 Apr 2018 09:19
Last Modified: 07 Oct 2020 09:14
URI: http://eprints.sunway.edu.my/id/eprint/807

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