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4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl
T Pilati1, P Metrangolo, G Resnati
1CNR, Centro per lo Studio delle Relazioni fra Struttura e Reattività Chimica, Via Golgi 19, I-20133 Milano, Italy. pila@csrsrc.mi.cnr.it
Acta Crystallographica. Section C, Crystal Structure Communications
|February 15, 2001
Summary
The molecular structure of C12Br2F8 was analyzed, revealing an approximate D2 symmetry. Its two rings form a specific dihedral angle of 60.2 degrees, providing insight into its spatial arrangement.
Area of Science:
- Crystallography and Molecular Structure Analysis
- Organobromine and Organofluorine Chemistry
Background:
- Understanding the three-dimensional structure of novel chemical compounds is crucial for predicting their properties and reactivity.
- Detailed structural data for polyhalogenated organic molecules like C12Br2F8 are essential for advancing materials science and synthetic chemistry.
Purpose of the Study:
- To determine the precise molecular geometry and symmetry of the title compound, C12Br2F8.
- To elucidate the spatial relationship between the two rings within the C12Br2F8 molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain detailed structural information.
- Analysis of the crystallographic data allowed for the determination of molecular symmetry and key bond/dihedral angles.
Main Results:
- The molecule of C12Br2F8 exhibits an approximate D2 symmetry, indicating a specific spatial arrangement of its atoms.
- The dihedral angle formed by the two rings in the molecule was precisely measured to be 60.2 (1) degrees.
Conclusions:
- The determined D2 symmetry and dihedral angle provide a fundamental understanding of C12Br2F8's molecular architecture.
- This structural characterization serves as a basis for further investigations into the chemical and physical properties of C12Br2F8.