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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
2-[5-(4-Meth-oxy-phen-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-6-methyl-1,3-benzothia-zole.
Acta Crystallographica. Section E, Structure Reports Online
|November 9, 2011
Summary
This study details the crystal structure of a novel organic compound, C(24)H(21)N(3)OS. Molecular analysis reveals specific dihedral angles between its ring systems and intermolecular C-H⋯π interactions in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
- Pyrazole and benzothiazole scaffolds are prevalent in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(24)H(21)N(3)OS.
- To analyze the spatial arrangement and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of dihedral angles and intermolecular interactions (C-H⋯π) was performed.
Main Results:
- The pyrazole ring exhibited distinct dihedral angles with the benzothiazole system (5.40°), a benzene ring (6.72°), and a methoxy-substituted benzene ring (85.72°).
- The crystal packing is stabilized by intermolecular C-H⋯π interactions.
Conclusions:
- The study provides precise structural data for C(24)H(21)N(3)OS.
- The observed intermolecular interactions offer insights into the solid-state behavior and potential supramolecular assembly of this compound.
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