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Updated: May 10, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
1,3,5-Tris(bromo-meth-yl)-2,4,6-trimeth-oxy-benzene
Niklas Koch1, Wilhelm Seichter, Monika Mazik
1Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.
Summary
This study reveals the crystal structure of C12H15Br3O3, detailing three unique molecular arrangements and their interactions. These findings contribute to understanding complex crystal packing and supramolecular chemistry.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding molecular arrangements in crystals is crucial for predicting material properties.
- The title compound, C12H15Br3O3, presents an interesting case for structural analysis due to potential variations in molecular conformation.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C12H15Br3O3.
- To identify and characterize the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of intermolecular contacts, including hydrogen bonds and π-π interactions, was performed.
Main Results:
- Three independent molecules were identified in the asymmetric unit, with two exhibiting approximate trigonal symmetry and the third showing near mirror symmetry.
- The crystal structure is stabilized by C-H⋯Br interactions, a weak C-H⋯O hydrogen bond, π-π interactions, and a short Br⋯Br contact.
- These interactions result in the formation of a three-dimensional supramolecular network.
Conclusions:
- The detailed crystal structure of C12H15Br3O3 has been determined.
- The study highlights the role of various non-covalent interactions in constructing a robust 3D supramolecular architecture.
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