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Related Experiment Video

Updated: Jun 1, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors

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Published on: April 27, 2017

1-(2-Hy-droxy-benzo-yl)thio-semicarbazide hemihydrate.

Ming-Zhi Song¹, Chuangang Fan

¹College of Chemistry and Chemical Technology, Binzhou University, Binzhou 256600, Shandong, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

This study details the crystal structure of a thiosemicarbazide compound, revealing molecular arrangements and hydrogen bonding. The findings enhance understanding of molecular interactions in crystalline solids.

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Published on: June 20, 2014

Area of Science:

Crystallography
Chemical Physics
Materials Science

Background:

Thiosemicarbazide derivatives are known for diverse biological activities.
Understanding the crystal structure is crucial for structure-activity relationship studies.
The title compound, C(8)H(9)N(3)O(2)S·0.5H(2)O, was synthesized and characterized.

Purpose of the Study:

To elucidate the crystal structure of the title compound.
To analyze the molecular arrangement and intermolecular interactions.
To investigate the role of hydrogen bonding in crystal packing.

Main Methods:

Single-crystal X-ray diffraction was employed.
The crystal structure was solved and refined.
Intermolecular interactions, including hydrogen bonds, were analyzed.

Main Results:

The asymmetric unit contains two independent thiosemicarbazide molecules and one water molecule.
A short distance (3.521 Å) was observed between the centroids of the benzene rings of the independent molecules.
The benzene rings and thio-semicarbazone fragments exhibit distinct twists (9.2° and 18.5°).
An extensive 3D hydrogen-bonding network (N-H⋯O, N-H⋯S, O-H⋯O) was identified, stabilizing the crystal structure.

Conclusions:

The crystal structure is stabilized by a robust three-dimensional hydrogen-bonding network.
The observed molecular conformations and packing influence the compound's solid-state properties.
This structural information provides a foundation for further research into thiosemicarbazide derivatives.