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1,6-Bis(p-tol-yloxy)hexa-ne.
XiuQin Zhang1, Jian Xiao2, Wei-Wei Xue2
1High Technology Research Institute of Nanjing University, Changzhou 213162, Jiangsu, People's Republic of China.
Summary
This study details the crystal structure of a C20H26O2 compound, revealing molecular stacking and specific intermolecular interactions. The findings provide insights into the solid-state arrangement of this organic molecule.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- Molecular symmetry and intermolecular interactions significantly influence crystal packing and material behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound (C20H26O2).
- To investigate the molecular symmetry and intermolecular interactions governing its crystal packing.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
- Analysis of the crystal structure included identification of symmetry elements and intermolecular contacts.
Main Results:
- The compound crystallized with a half-molecule in the asymmetric unit, with the full molecule generated by inversion symmetry.
- The inversion center is located on the central -CH2-CH2- bond of the hexane chain.
- Molecules form columns along the b axis, with C-H⋯π interactions observed within these columns.
Conclusions:
- The crystal structure of C20H26O2 is characterized by inversion symmetry and columnar stacking.
- C-H⋯π interactions play a role in stabilizing the observed crystal packing.