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11:01
Preparation and In Vivo Use of an Activity-based Probe for N-acylethanolamine Acid Amidase
Published on: November 23, 2016
3-Benzyl-sulfanyl-1H-1,2,4-triazol-5-amine
Shuai Zhang1, Pei-Jiang Liu, Dong-Sheng Ma
1College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 20, 2012
Summary
This study details the crystal structure of a molecule containing benzene and triazole rings. Hydrogen bonds link these molecules into zigzag chains, revealing key structural and bonding characteristics.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular interactions is crucial in materials science.
- Crystal structure analysis provides insights into intermolecular forces.
- Benzene and triazole moieties are common in pharmaceuticals and materials.
Purpose of the Study:
- To elucidate the crystal structure of the title molecule C(9)H(10)N(4)S.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To characterize the spatial arrangement of the benzene and triazole rings.
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.
- Identification and analysis of hydrogen bonding networks.
Main Results:
- The dihedral angle between the benzene and triazole rings was determined to be 81.05(5)°.
- The crystal structure features N-H⋯N hydrogen bonds.
- These hydrogen bonds facilitate the formation of infinite zigzag chains along the [010] direction.
Conclusions:
- The title molecule C(9)H(10)N(4)S exhibits a specific dihedral angle between its aromatic and heterocyclic rings.
- Intermolecular N-H⋯N hydrogen bonding plays a significant role in organizing the molecules in the solid state.
- The formation of zigzag chains highlights the directional nature of these interactions, relevant for crystal engineering.
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