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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
1-Meth-oxy-11H-benzo[b]fluoren-11-one
Sin-Kai Fang1, Che-Wei Chang, Hsing-Yang Tsai
1Department of Chemical Engineering, Feng Chia University, 40724 Taichung, Taiwan.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
The crystal structure of C18H12O2 reveals near-planar non-hydrogen atoms. Molecular packing is stabilized by pi-pi stacking and C-H...O hydrogen bonds, forming chains.
Area of Science:
- Crystallography
- Solid-state chemistry
Background:
- Understanding molecular packing is crucial for predicting material properties.
- Intermolecular interactions, such as pi-pi stacking and hydrogen bonding, dictate crystal lattice formation.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound (C18H12O2).
- To analyze the packing arrangement and identify stabilizing forces within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the three-dimensional structure.
- Analysis of atomic deviations and intermolecular distances (centroid-centroid, C-H...O) was performed.
Main Results:
- The non-hydrogen atoms in C18H12O2 exhibit near-planarity, with a maximum deviation of 0.113(2) Å.
- Significant pi-pi stacking interactions were observed, with a shortest centroid-centroid distance of 3.5983(19) Å.
- Weak C-H⋯O hydrogen bonds contribute to molecular packing, forming infinite chains along the [100] direction with a C(6) motif.
Conclusions:
- The crystal structure of C18H12O2 is characterized by planar molecular geometry and efficient packing.
- Pi-pi stacking and C-H...O hydrogen bonds are key stabilizing forces in the crystal lattice.
- The observed chain formation through hydrogen bonding influences the overall supramolecular architecture.
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