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Updated: May 13, 2026

Preparation of Contiguous Bisaziridines for Regioselective Ring-Opening Reactions
Published on: July 28, 2022
1,2-Diphenyl-1H-benzimidazole
S Rosepriya1, A Thiruvalluvar, K Jayamoorthy
1Postgraduate Research Department of Physics, Rajah Serfoji Government College (Autonomous), Thanjavur 613 005, Tamilnadu, India.
This study details the molecular structure of C19H14N2, revealing a near-planar benzimidazole core with specific dihedral angles between phenyl rings. Crystal analysis identified hydrogen bonds and weak interactions forming a 3D molecular architecture.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Benzimidazole derivatives are important scaffolds in medicinal chemistry.
- Understanding the precise three-dimensional structure of organic molecules is crucial for predicting their properties and interactions.
Purpose of the Study:
- To elucidate the detailed crystal structure of the molecule C19H14N2.
- To analyze the planarity of the benzimidazole unit and the dihedral angles between the aromatic rings.
- To identify intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Geometric parameters, including bond lengths, bond angles, and dihedral angles, were analyzed.
- Intermolecular interactions, such as hydrogen bonds and C-H···π interactions, were identified.
Main Results:
- The benzimidazole unit in C19H14N2 exhibits near-planarity with a maximum deviation of 0.0102(6) Å.
- Significant dihedral angles were observed between the benzimidazole core and the adjacent phenyl rings (55.80(2)° and 40.67(3)°).
- The dihedral angle between the two phenyl rings is 62.37(3)°, and the crystal structure is stabilized by one C-H⋯N hydrogen bond and three weak C-H⋯π interactions.
Conclusions:
- The study provides a precise structural characterization of C19H14N2 at the molecular level.
- The observed dihedral angles and intermolecular interactions dictate the formation of a stable three-dimensional crystal architecture.
- This structural information is valuable for the design of novel compounds with potential applications.
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