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Updated: May 10, 2026
10:42
Preparation of N-(2-alkoxyvinyl)sulfonamides from N-tosyl-1,2,3-triazoles and Subsequent Conversion to Substituted Phthalans and Phenethylamines
Published on: January 3, 2018
1-(4-Methyl-phen-yl)-2-[4-(trifluoro-methyl)phen-yl]-1H-phenanthro[9,10-d]imida-zole
T Mohandas1, R Sathishkumar, J Jayabharathi
1Department of Physics, Shri Angalamman College of Engineering and Technology, Siruganoor, Tiruchirappalli 621 105, India.
Summary
This study details the crystal structure of a trifluoromethyl-substituted organic compound, C29H19F3N2. It reveals a planar tetra-cyclic core with specific dihedral angles and intra-molecular interactions.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Non-covalent interactions, such as C-H···π interactions, play a significant role in molecular assembly and crystal engineering.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C29H19F3N2.
- To analyze the planarity of the tetra-cyclic core and its orientation relative to pendant aromatic rings.
- To identify and characterize intra- and inter-molecular non-covalent interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Crystallographic analysis was performed to assess planarity and dihedral angles.
- Analysis of non-covalent interactions, including C-H···π interactions, was conducted.
Main Results:
- The tetra-cyclic ring system of C29H19F3N2 exhibits near-planarity, with a maximum deviation of 0.076(1) Å from the best plane.
- Significant dihedral angles of 78.10(5)° and 33.71(4)° were observed between the core and the methyl-phenyl and fluoro-phenyl rings, respectively.
- An intra-molecular C-H···π interaction was identified within the molecule, and pairs of C-H···π interactions link inversion-related molecules in the crystal.
Conclusions:
- The crystal structure of C29H19F3N2 is characterized by a planar core and specific orientations of its aromatic substituents.
- Intra-molecular C-H···π interactions contribute to the molecule's conformation.
- Inter-molecular C-H···π interactions mediate the crystal packing, leading to the formation of linked molecular pairs.
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