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Published on: October 24, 2017
Benzyl 3-[(E)-furfuryl-idene]dithio-carbazate
Shang Shan1, Yu-Liang Tian, Shan-Heng Wang
1College of Chemical Engineering and Materials Science, Zhejiang University of Technology, People's Republic of China.
The study describes the crystal structure of a novel compound, C(13)H(12)N(2)OS(2). Molecules form dimers through hydrogen bonds, revealing specific molecular arrangements in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions is crucial in crystal engineering.
- Dithiocarbazate derivatives are of interest due to their diverse chemical properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound, C(13)H(12)N(2)OS(2).
- To analyze the molecular conformation and packing in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and intermolecular interactions.
Main Results:
- The compound C(13)H(12)N(2)OS(2) crystallizes with molecules adopting an E configuration.
- The furan ring and dithio-carbazate moieties are positioned on opposite sides of the N=C double bond.
- Centrosymmetric dimers are formed through two intermolecular N-H⋯S hydrogen bonds.
Conclusions:
- The crystal structure reveals specific conformational preferences and intermolecular hydrogen bonding patterns.
- The observed dimer formation provides insights into the self-assembly behavior of this class of compounds.
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