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09:45
Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
1-Ethyl-1-methyl-3-(2-nitro-benzo-yl)thio-urea
Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study details the crystal structure of a novel organic compound, C(11)H(13)N(3)O(3)S. Molecular analysis reveals specific bond angles and intermolecular hydrogen bonds influencing its crystal packing and properties.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions is crucial in organic chemistry.
- Crystal structure analysis provides insights into intermolecular forces.
Purpose of the Study:
- To elucidate the crystal structure of the novel compound C(11)H(13)N(3)O(3)S.
- To analyze the molecular geometry and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of bond angles, dihedral angles, and hydrogen bonding patterns.
Main Results:
- The benzene ring exhibits a dihedral angle of 27.26(9)° relative to the amidic fragment.
- Thiono and carbonyl groups are in a trans configuration around the C-N bond.
- Intermolecular hydrogen bonds (N-H⋯S and C-H⋯O) were identified, linking molecules in the crystal.
Conclusions:
- The study provides a detailed structural characterization of C(11)H(13)N(3)O(3)S.
- The observed molecular conformation and hydrogen bonding are key features of its solid-state structure.
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