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Updated: May 22, 2026

Preparation of Contiguous Bisaziridines for Regioselective Ring-Opening Reactions
Published on: July 28, 2022
1-Benzyl-1H-benzotriazole
Structural analysis of C(13)H(11)N(3) reveals a nearly planar benzotriazole ring system. This system forms a significant dihedral angle with the phenyl ring, stabilized by weak intermolecular interactions in the crystal lattice.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Benzotriazole derivatives are important in various chemical applications.
- Understanding the solid-state structure of organic compounds is crucial for predicting their properties.
- Intermolecular interactions dictate crystal packing and material characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(13)H(11)N(3).
- To analyze the planarity of the benzotriazole ring system and its orientation relative to the phenyl ring.
- To identify and characterize the intermolecular interactions present in the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
- Intermolecular interactions, including hydrogen bonds and π-π stacking, were identified using geometric criteria.
Main Results:
- The benzotriazole ring system in C(13)H(11)N(3) exhibits near planarity (maximum deviation of 0.0173 Å).
- A dihedral angle of 75.08° was observed between the benzotriazole and phenyl rings.
- Weak C-H⋯N hydrogen bonds form inversion dimers, alongside C-H⋯π(arene) and π-π stacking interactions (centroid-centroid distance of 3.673 Å).
Conclusions:
- The crystal structure of C(13)H(11)N(3) is characterized by a specific arrangement of planar and non-planar moieties.
- Weak intermolecular forces play a significant role in stabilizing the crystal lattice.
- The detailed structural insights contribute to the understanding of benzotriazole derivative packing.
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