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Updated: May 19, 2026

Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid
Published on: November 15, 2017
1-(6-Fluoro-1,3-benzothia-zol-2-yl)-2-(1-phenyl-ethyl-idene)hydrazine.
This study details the crystal structure of a fluorinated benzothiazole compound, C(15)H(12)FN(3)S. The research reveals how molecules arrange and bond within the crystal lattice, forming a complex three-dimensional network.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Understanding the molecular arrangement and intermolecular interactions in crystalline solids is crucial for predicting material properties.
- Benzothiazole derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(12)FN(3)S.
- To analyze the molecular geometry and intermolecular interactions, including hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- The crystallographic data were analyzed to identify independent molecules, bond angles, and hydrogen bonding networks.
Main Results:
- The asymmetric unit contains two independent molecules with similar geometries.
- The 1,3-benzothiazole ring system exhibits dihedral angles of approximately 20° and 22° with the phenyl ring in the two molecules.
- A three-dimensional network is formed through N-H⋯N, C-H⋯F, and C-H⋯N hydrogen bonds.
- The crystal was identified as a non-merohedral twin with a refined BASF value of 0.301(2).
Conclusions:
- The study provides a detailed structural characterization of C(15)H(12)FN(3)S.
- The identified hydrogen bonding network dictates the supramolecular architecture in the solid state.
- The crystallographic data offer insights into the packing behavior and potential intermolecular interactions of this fluorinated benzothiazole derivative.
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