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Updated: Jun 2, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study details the crystal structure of a benzamide compound, revealing a twisted thiazole ring and specific hydrogen bonding interactions. These molecular arrangements facilitate π-π stacking, influencing the compound's solid-state structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular interactions in crystalline solids is crucial for predicting material properties.
- Benzamide derivatives are widely studied for their diverse applications.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a novel benzamide compound.
- To investigate the spatial arrangement and bonding in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding and π-π stacking interactions was performed.
Main Results:
- The crystal structure of C(10)H(6)N(4)O(5)S·H(2)O was determined, showing a thiazole ring twisted 25.87° relative to the benzene ring.
- Hydrogen bonds (N-H⋯O, O-H⋯N, O-H⋯O) were identified between benzamide and water molecules.
- π-π stacking was observed between adjacent molecules, with centroid-centroid distances of ~3.71 Å.
Conclusions:
- The study provides detailed insights into the supramolecular assembly of the benzamide compound.
- The observed hydrogen bonding and π-π stacking significantly influence the crystal packing and stability.
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