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Published on: November 23, 2016
(E)-N'-(2-Fluoro-benzyl-idene)furan-2-carbohydrazide
1Microscale Science Institute, Department of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
Researchers synthesized a novel fluorinated organic compound. Crystal structure analysis revealed disordered furan rings and intermolecular hydrogen bonding, impacting molecular arrangement.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Synthesis of novel organic compounds is crucial for materials science and medicinal chemistry.
- Understanding molecular structure and intermolecular interactions aids in predicting material properties.
Purpose of the Study:
- To synthesize and characterize a new organic compound with the chemical formula C(12)H(9)FN(2)O(2).
- To elucidate the crystal structure, including furan ring disorder and hydrogen bonding patterns.
Main Methods:
- Chemical synthesis involving 2-fluoro-benzaldehyde and furan-2-carbohydrazide.
- Single-crystal X-ray diffraction to determine molecular and crystal structure.
- Analysis of crystallographic data, including bond angles, dihedral angles, and hydrogen bond analysis.
Main Results:
- Successful synthesis of the target compound C(12)H(9)FN(2)O(2).
- The furan ring exhibits disorder over two positions with refined occupancies (0.60:0.40).
- Dihedral angles between the furan and benzene rings are 51.9° (major) and 38.0° (minor).
- Molecules form chains through bifurcated N-H⋯O(N) hydrogen bonds along the [001] direction.
Conclusions:
- The study provides a detailed structural characterization of a novel fluorinated organic compound.
- The observed furan ring disorder and hydrogen bonding significantly influence the compound's solid-state structure.
- This structural information is valuable for further research into related compounds and their potential applications.
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