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Updated: Jun 1, 2026

Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
(E)-N-Benzyl-idene-4H-1,2,4-triazol-4-amine
This study details the crystal structure of a C(9)H(8)N(4) compound, revealing three distinct molecular conformations. These molecules form a crystal trimer through specific hydrogen bonding interactions.
Area of Science:
- Crystallography
- Chemical structure analysis
- Organic chemistry
Background:
- Understanding molecular conformations is crucial in chemistry.
- Crystal packing influences material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(9)H(8)N(4).
- To analyze the conformational variations among independent molecules in the asymmetric unit.
- To investigate the intermolecular interactions driving crystal formation.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Conformational analysis of the triazole and phenyl rings was performed.
- Hydrogen bonding interactions were identified.
Main Results:
- The compound crystallizes with three independent molecules (A, B, and C) in the asymmetric unit.
- Dihedral angles between the triazole and phenyl rings varied: 4.8(2)° (A), 9.7(2)° (B), and 7.2(2)° (C).
- The independent molecules are assembled into a trimer via C-H⋯N hydrogen bonds.
Conclusions:
- The C(9)H(8)N(4) compound exhibits conformational polymorphism in the solid state.
- Hydrogen bonding plays a significant role in the self-assembly of these molecules into a crystal lattice.
- The structural data provides a foundation for further studies on the compound's properties.
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