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Updated: Jun 1, 2026
14:11
Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
Published on: June 10, 2021
2-Methyl-3,5,6-triphenyl-2,3-dihydro-pyrazine
Summary
This study details the screw-boat conformation of a C(23)H(20)N(2) molecule. It highlights specific dihedral angles between phenyl rings and the presence of C-H⋯π interactions in its crystal structure.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding molecular conformation is crucial for predicting chemical properties.
- Heterocyclic compounds exhibit diverse three-dimensional structures.
Purpose of the Study:
- To elucidate the specific three-dimensional structure of the C(23)H(20)N(2) molecule.
- To analyze the spatial arrangement of substituents and phenyl rings.
- To identify intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
- Identification of non-covalent interactions, such as C-H⋯π interactions, was conducted.
Main Results:
- The heterocyclic ring of C(23)H(20)N(2) was found to adopt a screw-boat conformation.
- All substituents on the heterocyclic ring were observed to be in equatorial positions.
- Specific dihedral angles between the phenyl rings at positions 3, 5, and 6 were quantified.
- A C-H⋯π interaction was identified as a significant feature of the crystal structure.
Conclusions:
- The screw-boat conformation and equatorial substituent arrangement dictate the molecule's spatial orientation.
- The quantified dihedral angles provide insights into the rotational freedom and steric hindrance of the phenyl rings.
- The presence of C-H⋯π interactions influences crystal packing and molecular stability.
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