Title of article
Crystal structure and Hirshfeld surface analysis of 2,6-diiodo-4-nitrotoluene and 2,4,6-tribromotoluene
Author/Authors
Medjroubi, Mohamed Larbi Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Boudjada, Ali Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Hamdouni, Noudjoud Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Brihi, Ouarda Laboratoire de Cristallographie - Département de Physique - Université Mentouri-Constantine, Algeria , Jeannin, Olivier UMR 6226 CNRS–Université Rennes 1 `Sciences Chimiques de Rennes' - Equipe `Matière Condensée et Systèmes Electroactifs' - Bâtiment 10C Campus de Beaulieu, France , Meinnel, Jean UMR 6226 CNRS–Université Rennes 1 `Sciences Chimiques de Rennes' - Equipe `Matière Condensée et Systèmes Electroactifs' - Bâtiment 10C Campus de Beaulieu, France
Pages
12
From page
1
To page
12
Abstract
The title compounds, 2,6-diiodo-4-nitrotoluene (DINT, C7H5I2NO2) and 2,4,6-tribromotoluene (TBT, C7H5Br3,), are trisubstituted toluene molecules. Both molecules are planar, only the H atoms of the methyl group, and the nitro group in DINT, deviate significantly from the plane of the benzene ring. In the crystals of both compounds, molecules stack in columns up the shortest crystallographic axis, viz. the a axis in DINT and the b axis in TBT. In the crystal of DINT, molecules are linked via short N—O⋯I contacts, forming chains along [100]. In TBT, molecules are linked by C—H⋯Br hydrogen bonds, forming chains along [010]. Hirshfeld surface analysis was used to explore the intermolecular contacts in the crystals of both DINT and TBT.
Keywords
X-ray diffraction , crystal structure , 2,6-diiodo-4-nitrotoluene , Hirshfeld surface , 2,4,6-tribromotoluene
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2020
Record number
2623345
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