• Title of article

    Crystal structure and Hirshfeld surface analysis of (E)-3-(3-iodo­phen­yl)-1-(4-iodo­phen­yl)prop-2-en-1-one

  • Author/Authors

    Spruce, Kieran J. School of Chemistry - University of Bristol - Cantock's Close, England , Hall, Charlie L. School of Chemistry - University of Bristol - Cantock's Close, England , Potticary, Jason School of Chemistry - University of Bristol - Cantock's Close, England , Pridmore, Natalie E. School of Chemistry - University of Bristol - Cantock's Close, England , Cremeens, Matthew E. Department of Chemistry & Biochemistry - Gonzaga University, USA , D'ambruoso, Gemma D. Department of Chemistry & Biochemistry - Gonzaga University, USA , Matsumoto, Masaomi Department of Chemistry & Biochemistry - Gonzaga University, USA , Warren, Gabrielle I. Department of Chemistry & Biochemistry - Gonzaga University, USA , Warren, Stephen D. Department of Chemistry & Biochemistry - Gonzaga University, USA , Hall, Simon R. School of Chemistry - University of Bristol - Cantock's Close, England

  • Pages
    9
  • From page
    1
  • To page
    9
  • Abstract
    The title compound, C15H10I2O, is a halogenated chalcone formed from two iodine substituted rings, one para-substituted and the other meta-substituted, linked through a prop-2-en-1-one spacer. In the mol­ecule, the mean planes of the 3-iodo­phenyl and the 4-iodo­phenyl groups are twisted by 46.51 (15)°. The calculated electrostatic potential surfaces show the presence of σ-holes on both substituted iodines. In the crystal, the mol­ecules are linked through type II halogen bonds, forming a sheet structure parallel to the bc plane. Between the sheets, weak inter­molecular C—H⋯π inter­actions are observed. Hirshfeld surface analysis showed that the most significant contacts in the structure are C⋯H/H⋯C (31.9%), followed by H⋯H (21.4%), I⋯H/H⋯I (18.4%). I⋯I (14.5%) and O⋯H/H⋯O (8.1%).
  • Keywords
    crystal structure , (E)-3-(3-iodo­phen­yl)-1-(4-iodo­phen­yl)prop-2-en-1-one , chalcone , iodo­phenyl ring , E configuration
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Full Text URL
    journals.iucr.org/e/issues/2020/01/00/is5526/is5526.pdf
  • Record number

    2624574

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=2624574