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10-(4-Methyl-benzyl-idene)anthracen-9(10H)-one
Acta Crystallographica. Section E, Structure Reports Online
|February 21, 2012
Summary
This study details the molecular structure of a C(22)H(16)O compound, revealing a shallow boat conformation in its anthrone moiety. Molecular packing in the crystal is stabilized by hydrogen bonds and weak inter-actions.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Anthrone derivatives are important in organic synthesis and materials science.
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound, C(22)H(16)O.
- To investigate the conformational preferences and intermolecular interactions in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of puckering parameters and dihedral angles provided insights into the conformation.
Main Results:
- The anthrone moiety exhibits a shallow boat conformation with specific puckering parameters (Q = 0.2860(17) Å, Θ = 99.1(3)°, Φ = 114.8(3)°).
- Dihedral angles between aromatic rings were quantified (26.53(8)° and 38.73(6)°).
- Crystal packing is characterized by C-H⋯O hydrogen bonds forming zigzag chains and C-H⋯π interactions.
Conclusions:
- The study provides a detailed structural characterization of the C(22)H(16)O compound.
- The observed conformation and intermolecular interactions dictate the solid-state architecture and stability.
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