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Updated: Jun 1, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N,N-Bis(2,6-difluoro-benz-yl)-1,3,4-thia-diazol-2-amine
This study details the crystal structure of a novel fluorinated compound, C(16)H(11)F(4)N(3)S. The research reveals specific dihedral angles and intermolecular interactions, contributing to the understanding of fluorinated organic molecules.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the structure-property relationships of fluorinated organic compounds is crucial.
- Crystal engineering plays a key role in designing novel materials with specific functionalities.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(16)H(11)F(4)N(3)S.
- To analyze the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of dihedral angles and hydrogen bonding interactions (C-H⋯N, C-H⋯F) was performed.
Main Results:
- The compound exhibits specific dihedral angles between the thia-diazole and difluorobenzyl rings (approx. 81.9°).
- The dihedral angle between the two difluorobenzyl rings is approximately 11.4°.
- Molecules are organized into 2D arrays via C-H⋯N and C-H⋯F interactions parallel to the bc plane.
Conclusions:
- The determined crystal structure provides insights into the solid-state packing of this fluorinated molecule.
- The intermolecular interactions suggest potential for self-assembly and influence on material properties.
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