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Updated: May 12, 2025

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
2-[(5-Methyl-1,3,4-thia-diazol-2-yl)sulfan-yl]-N'-(4-nitro-benzyl-idene)acetohydrazide monohydrate
Murugan Nidhishree1, Sundaramoorthy Gomathi1, Jeyaraman Selvaraj Nirmalram2
1Department of Chemistry, Periyar Maniammai Institute of Science & Technology, Thanjavur-613403, Tamilnadu, India.
The crystal structure of a C12H11N5O3S2 hydrate was determined. Hydrogen bonds link molecules into sheets, with a specific dihedral angle observed between aromatic rings.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular interactions is key in materials science.
- Crystal structure analysis reveals intermolecular forces.
Purpose of the Study:
- To determine the crystal structure of the title hydrate (C12H11N5O3S2·H2O).
- To investigate the hydrogen bonding network and molecular conformation.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of bond lengths, angles, and intermolecular interactions.
Main Results:
- The dihedral angle between aromatic rings was found to be 9.6(3)°.
- N-H⋯O and O-H⋯N hydrogen bonds were identified.
- These bonds facilitate the formation of (101) sheets in the crystal.
Conclusions:
- The crystal packing is governed by specific hydrogen bonding patterns.
- The observed dihedral angle provides insight into the molecule's conformation in the solid state.
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