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Updated: May 22, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N'-(2,6-Difluoro-benzyl-idene)pyridine-4-carbohydrazide
This study details the crystal structure of a fluorinated pyridine-benzene compound. Molecular analysis reveals specific dihedral angles and intermolecular interactions, including hydrogen bonding, within the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular interactions is crucial for designing novel materials.
- Crystal structure analysis provides fundamental insights into chemical bonding and intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the novel compound C(13)H(9)F(2)N(3)O.
- To characterize the dihedral angle between the pyridine and benzene rings.
- To identify and describe the intermolecular interactions present in the crystal lattice.
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 was performed.
- Intermolecular interactions, such as hydrogen bonds (N-H⋯O, C-H⋯O) and C-H⋯F interactions, were identified.
Main Results:
- The crystal structure of C(13)H(9)F(2)N(3)O was successfully determined.
- A dihedral angle of 16.92(7)° was measured between the pyridine and benzene rings.
- Multiple intermolecular interactions, including N-H⋯O, C-H⋯O, and C-H⋯F hydrogen bonds, were observed, with one oxygen atom participating in two hydrogen bonds.
Conclusions:
- The study provides a detailed structural characterization of the fluorinated pyridine-benzene derivative.
- The identified intermolecular interactions offer insights into crystal packing and potential material properties.
- This structural data serves as a foundation for further research into related compounds.
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