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
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
