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Published on: January 15, 2018
N,N'-Diphenyl-thio-urea acetone monosolvate
Andrzej Okuniewski1, Jaroslaw Chojnacki, Barbara Becker
1Department of Inorganic Chemistry, Gdansk University of Technology, 11/12 Narutowicza Str., 80-233 Gdańsk, Poland.
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study details the crystal structure of a thio-urea compound, revealing how molecules self-assemble using hydrogen bonds. The findings highlight specific molecular arrangements and interactions within the crystal lattice.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Thio-urea derivatives are important in medicinal chemistry and materials science.
- Understanding the self-assembly of organic molecules is crucial for designing new materials.
Purpose of the Study:
- To elucidate the crystal structure of a specific thio-urea compound.
- To investigate the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding and other non-covalent interactions was performed.
Main Results:
- The crystal structure of C(13)H(12)N(2)S·C(3)H(6)O was determined.
- Phenyl rings were observed in syn and anti conformations relative to the C=S bond.
- Centrosymmetric dimers formed via N-H⋯S=C hydrogen bonds were identified.
- Acetone solvent molecules participated in N-H⋯O=C hydrogen bonding.
- Weak C-H⋯π interactions were also noted, contributing to crystal stabilization.
Conclusions:
- The crystal structure is stabilized by a combination of strong hydrogen bonds and weaker interactions.
- The observed molecular arrangement provides insights into the supramolecular chemistry of thio-urea compounds.
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