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Published on: October 24, 2017
13,13'-Bi(dibenzo[a,i]fluorenyl-idene)
Dieter Schollmeyer1, Heiner Detert1
1University of Mainz, Department of Chemistry, Duesbergweg 10-14, 55099 Mainz, Germany.
This study details the crystal structure of C42H24, revealing two nearly identical molecules with significant twisting. The molecular halves exhibit large dihedral angles, indicating a distorted double bond in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding molecular geometry is crucial for predicting chemical properties.
- The study of polycyclic aromatic hydrocarbons provides insights into electronic and structural behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C42H24.
- To analyze the molecular symmetry and conformation of C42H24 in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of the asymmetric unit and molecular symmetry was performed.
Main Results:
- The asymmetric unit contains two nearly identical molecules of C42H24.
- The molecules exhibit approximate D2 symmetry and a highly twisted double bond.
- Dihedral angles between molecular halves were measured as 62.86(4)° and 61.22(3)°.
- The crystal exhibited non-merohedral twinning.
Conclusions:
- The crystal structure of C42H24 reveals significant molecular distortion in the solid state.
- The observed twisting impacts the electronic conjugation and potential reactivity of the molecule.
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