• Media type: E-Article
  • Title: Crystal structure and Hirshfeld surface analysis of (E)-3-(3-iodophenyl)-1-(4-iodophenyl)prop-2-en-1-one
  • Contributor: Spruce, Kieran J.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Cremeens, Matthew E.; D'ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Gabrielle I.; Warren, Stephen D.; Hall, Simon R.
  • imprint: International Union of Crystallography (IUCr), 2020
  • Published in: Acta Crystallographica Section E Crystallographic Communications
  • Language: Not determined
  • DOI: 10.1107/s2056989019016402
  • ISSN: 2056-9890
  • Keywords: Condensed Matter Physics ; General Materials Science ; General Chemistry
  • Origination:
  • Footnote:
  • Description: <jats:p>The title compound, C<jats:sub>15</jats:sub>H<jats:sub>10</jats:sub>I<jats:sub>2</jats:sub>O, is a halogenated chalcone formed from two iodine substituted rings, one <jats:italic>para</jats:italic>-substituted and the other <jats:italic>meta</jats:italic>-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 <jats:italic>bc</jats:italic> 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%).</jats:p>
  • Access State: Open Access