The title compound, C(15)H(10)I(2)O, 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 mol-ecule, the mean planes of the 3-iodo-phenyl and the 4-iodo-phenyl groups are twisted by 46.51â (15)°. The calculated electrostatic potential surfaces show the presence of Ï-holes on both substituted iodines. In the crystal, the mol-ecules are linked through type II halogen bonds, forming a sheet structure parallel to the bc plane. Between the sheets, weak inter-molecular C-Hâ¯Ï inter-actions are observed. Hirshfeld surface analysis showed that the most significant contacts in the structure are Câ¯H/Hâ¯C (31.9%), followed by Hâ¯H (21.4%), Iâ¯H/Hâ¯I (18.4%). Iâ¯I (14.5%) and Oâ¯H/Hâ¯O (8.1%).
Crystal structure and Hirshfeld surface analysis of (E)-3-(3-iodo-phen-yl)-1-(4-iodo-phen-yl)prop-2-en-1-one.
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作者: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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 Jan 1; 76(Pt 1):72-76 |
| doi: | 10.1107/S2056989019016402 | ||
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