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Updated: May 21, 2026
09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
O-Propyl N-phenyl-thio-carbamate.
Summary
This study details the crystal structure of a thio-carbamide derivative, C(10)H(13)NOS. Independent molecules form dimers via hydrogen bonds, revealing distinct ethyl group orientations and phenyl ring twists.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Thio-carbamide derivatives are important in medicinal chemistry.
- Understanding molecular conformation is crucial for predicting chemical properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of a novel thio-carbamide derivative.
- To analyze the conformational differences between independent molecules in the asymmetric unit.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of torsion angles and hydrogen bonding networks.
Main Results:
- The asymmetric unit contains two independent molecules of C(10)H(13)NOS.
- Significant differences in ethyl group torsion angles and phenyl ring orientation were observed.
- Dimeric aggregates were formed through N-H⋯S hydrogen bonds and an eight-membered thio-amide synthon.
Conclusions:
- The crystal structure reveals specific molecular conformations and intermolecular interactions.
- The observed dimeric structure provides insights into the solid-state packing of this thio-carbamide derivative.
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