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Published on: July 30, 2017
Bis(3-bromo-methyl-2-meth-oxy-1-naphth-yl)methane
1School of Chemistry and Chemical Engineering, China West Normal University, Nanchong 637002, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the crystal structure of a novel organic compound, C(25)H(22)Br(2)O(2). Its unique molecular arrangement features perpendicular naphthalene systems, stabilized by specific intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- The presence of bromine and oxygen atoms suggests potential for diverse intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(25)H(22)Br(2)O(2).
- To analyze the spatial arrangement of the naphthalene ring systems within the crystal lattice.
- To identify and characterize the non-covalent interactions stabilizing the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Intermolecular and intramolecular interactions, including hydrogen bonds and C-H⋯π interactions, were investigated.
Main Results:
- The title compound, C(25)H(22)Br(2)O(2), crystallizes with two independent molecules in the asymmetric unit.
- In both molecules, the two naphthalene ring systems exhibit a nearly perpendicular orientation, with dihedral angles around 86°.
- The crystal packing is significantly influenced by C-H⋯π interactions involving the naphthalene rings.
- Both inter- and intramolecular hydrogen bonds of the C-H⋯O and C-H⋯Br types were identified, contributing to structural stability.
Conclusions:
- The crystal structure of C(25)H(22)Br(2)O(2) is characterized by near-perpendicular naphthalene systems.
- The observed crystal packing is stabilized by a combination of C-H⋯π interactions and various hydrogen bonds.
- This structural information provides a foundation for understanding the compound's properties and potential applications.
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