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Published on: February 5, 2018
(4-Bromo-phen-yl)(2,7-dimeth-oxy-1-naphth-yl)methanone
Yuichi Kato1, Atsushi Nagasawa, Takehiro Tsumuki
1Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture & Technology, 2-24-16 Naka-machi, Koganei, Tokyo 184-8588, Japan.
Summary
This study details the molecular structure of a novel brominated organic compound, C(19)H(15)BrO(3). It reveals specific dihedral angles and weak intermolecular interactions, including a notable bromine-carbon contact.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Brominated organic compounds are significant in various fields, including pharmaceuticals and materials science.
- Crystal structure analysis provides precise details about molecular conformation and intermolecular forces.
Purpose of the Study:
- To elucidate the precise molecular geometry and crystal packing of the title compound, C(19)H(15)BrO(3).
- To investigate the nature and significance of intermolecular interactions within the crystal lattice.
- To provide a detailed structural characterization for potential applications or further research.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
- Intermolecular interactions, including hydrogen bonds and halogen bonds, were identified and quantified.
Main Results:
- The dihedral angle between the naphthalene and benzene rings was determined to be 72.02(9)°.
- The bridging carbonyl group exhibited dihedral angles of 70.88(10)° with the naphthalene system and 1.87(12)° with the benzene ring.
- Two types of C-H⋯O interactions and a short Br⋯C contact (3.345(2) Å) were observed in the crystal.
Conclusions:
- The study provides a comprehensive structural analysis of C(19)H(15)BrO(3), highlighting its specific conformation.
- The identified intermolecular interactions, particularly the Br⋯C contact, may influence the compound's physical properties and reactivity.
- This detailed structural data serves as a foundation for future investigations into the compound's chemical behavior and potential applications.
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