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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
N-Cyclo-hexyl-N'-(4-nitro-benzo-yl)thio-urea
Summary
This study details the crystal structure of a novel organic compound, C(14)H(17)N(3)O(3)S. Key findings include specific molecular conformations and intermolecular interactions like hydrogen bonds and pi-pi stacking.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular interactions is crucial in chemistry.
- Crystal structure analysis provides detailed insights into compound behavior.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(14)H(17)N(3)O(3)S.
- To investigate intra- and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed.
- Analysis of bond lengths, bond angles, and intermolecular contacts.
Main Results:
- The nitro group exhibits a slight twist (2.6°) from the benzene ring plane.
- The thio-ureido group forms a dihedral angle of 52.06° with the benzene ring.
- Intramolecular N-H⋯O interaction and intermolecular N-H⋯S hydrogen bonds forming dimers were observed.
- π-π interactions and C-H⋯π interactions were identified in the crystal packing.
Conclusions:
- The study provides a detailed structural characterization of the compound.
- The identified interactions influence the compound's solid-state properties and packing.
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