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5-(4-Chloro-phen-yl)-2-fluoro-pyridine.
The crystal structure of C(11)H(7)ClFN reveals a specific orientation between its chloro-benzene and 2-fluoro-pyridine rings. No intermolecular hydrogen bonds were observed in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of halogenated aromatic compounds is crucial for predicting their physical and chemical properties.
- The specific arrangement of functional groups in organic molecules influences intermolecular interactions and crystal packing.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title compound, C(11)H(7)ClFN.
- To investigate the intermolecular interactions and crystal packing of this halogenated heterocyclic compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- The molecular geometry and crystal packing were examined based on the diffraction data.
Main Results:
- The chloro-benzene and 2-fluoro-pyridine rings exhibit a dihedral angle of 38.83(5) degrees.
- Analysis of the crystal structure confirmed the absence of significant hydrogen bonding interactions between molecules.
Conclusions:
- The determined dihedral angle provides insight into the preferred conformation of the molecule in the solid state.
- The lack of hydrogen bonding suggests that other intermolecular forces, such as van der Waals interactions, dominate the crystal packing.
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Halogens
Alkyl Halides
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...