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Published on: July 30, 2017
1,3-Bis(3,5-dimethyl-phen-yl)-5-methyl-benzene
Ke-Wei Lei1, Dong-Guo Xia, Jie Li
1State Key Laboratory Base of Novel Functional Materials and Preparation Science, Institute of Solid Materials Chemistry, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211, People's Republic of China.
This study details the molecular structure of C(23)H(24), revealing specific dihedral angles between benzene rings. Crystal packing analysis highlights stabilizing pi-pi stacking interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of molecules is crucial for predicting material properties.
- Benzene rings are fundamental building blocks in many organic compounds and materials.
Purpose of the Study:
- To determine the precise molecular geometry of the title compound, C(23)H(24).
- To investigate the intermolecular interactions governing the crystal packing of C(23)H(24).
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Geometric parameters, including dihedral angles, were precisely measured.
- Intermolecular distances and interactions, such as pi-pi stacking, were quantified.
Main Results:
- The dihedral angles between the central and peripheral benzene rings were determined to be 29.90(5)° and 34.95(5)°.
- Crystal packing is significantly influenced by pi-pi stacking interactions.
- The centroid-centroid distances for these pi-pi stacking interactions were measured at 3.815(4) Å.
Conclusions:
- The specific dihedral angles define the non-planar conformation of the C(23)H(24) molecule.
- Pi-pi stacking interactions play a key role in the stability and organization of the crystal lattice.
- This structural information is vital for the design of new organic materials with tailored properties.
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