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Updated: Jun 1, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
2,3-Difluoro-N-(2-pyrid-yl)benzamide
Summary
This study details the crystal structure of a difluorinated organic compound, C(12)H(8)F(2)N(2)O. The molecules form hydrogen-bonded dimers and supramolecular chains through specific intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic molecules is crucial for predicting their properties.
- Fluorinated organic compounds exhibit unique electronic and physical characteristics.
- Crystal engineering aims to design materials with desired functionalities based on intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(8)F(2)N(2)O.
- To analyze the conformational differences between independent molecules in the asymmetric unit.
- To investigate the intermolecular interactions driving the self-assembly of the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Conformational analysis was performed by examining dihedral angles between aromatic rings.
- Analysis of intermolecular interactions, including hydrogen bonding and C-H⋯O interactions, was conducted.
Main Results:
- The title compound, C(12)H(8)F(2)N(2)O, crystallizes with two independent molecules in the asymmetric unit.
- The dihedral angles between the benzene and pyridine rings show slight conformational variations (51.58(5)° and 49.97(4)°).
- Molecules self-assemble into hydrogen-bonded dimers (R(2)(2)(8) motif) and further into supramolecular chains via C-H⋯O interactions.
Conclusions:
- The crystal structure reveals detailed information about the solid-state packing and intermolecular forces.
- The observed conformational flexibility and specific intermolecular interactions dictate the formation of extended supramolecular architectures.
- This structural understanding provides a basis for designing related fluorinated organic materials with tailored properties.
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