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Published on: July 30, 2017
1-Bromo-2,7-di-tert-butyl-pyrene
Summary
This study details the crystal structure of a brominated organic molecule, C(24)H(25)Br. It reveals rotational disorder in tert-butyl groups and highlights short intermolecular bromine-bromine contacts, indicating unique crystal packing.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding molecular structure and crystal packing is crucial for predicting material properties.
- Brominated organic compounds are important in various chemical applications.
Purpose of the Study:
- To characterize the crystal structure of the title molecule C(24)H(25)Br.
- To investigate the rotational disorder and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal packing to identify specific intermolecular contacts and disorder.
Main Results:
- The molecule C(24)H(25)Br exhibits rotational disorder in one of its tert-butyl groups (0.59:0.41 ratio).
- No significant pi-pi interactions were observed in the crystal packing.
- Short intermolecular bromine-bromine (Br⋯Br) contacts of 3.654 Å were identified.
Conclusions:
- The crystal structure provides insights into the conformational flexibility of tert-butyl groups in organic solids.
- The observed Br⋯Br contacts suggest specific intermolecular forces influencing crystal assembly, distinct from typical pi-pi stacking.
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