Affiliations 

  • 1 Departamento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 2 Departamento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 3 Instituto de Química, Universidade de São Paulo, 05508-000 São Paulo, SP, Brazil
  • 4 Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India
  • 5 Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia
Acta Crystallogr E Crystallogr Commun, 2019 Jun 01;75(Pt 6):816-822.
PMID: 31391973 DOI: 10.1107/S2056989019006765

Abstract

The title compound, C15H13BrO2S, comprises three different substituents bound to a central (and chiral) methine-C atom, i.e. (4-bromo-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues: crystal symmetry generates a racemic mixture. A twist in the mol-ecule is evident about the methine-C-C(carbon-yl) bond as evidenced by the O-C-C-O torsion angle of -20.8 (7)°. The dihedral angle between the bromo-benzene and phenyl rings is 43.2 (2)°, with the former disposed to lie over the oxygen atoms. The most prominent feature of the packing is the formation of helical supra-molecular chains as a result of methyl- and methine-C-H⋯O(carbon-yl) inter-actions. The chains assemble into a three-dimensional architecture without directional inter-actions between them. The nature of the weak points of contacts has been probed by a combination of Hirshfeld surface analysis, non-covalent inter-action plots and inter-action energy calculations. These point to the importance of weaker H⋯H and C-H⋯C inter-actions in the consolidation of the structure.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.