N-(2,6-Dichloro-phen-yl)benzene-sulfonamide
Summary
This study details the molecular structure of a novel dichlorinated sulfonamide compound. Key findings include its bent molecular geometry and specific hydrogen bonding interactions in the crystal lattice, providing insights into its chemical properties.
Area of Science:
- Crystallography
- Organic Chemistry
- Chemical Physics
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their chemical behavior and potential applications.
- Sulfonamide derivatives are a significant class of compounds with diverse biological and material properties.
- Detailed structural analysis provides fundamental data for further research and development.
Purpose of the Study:
- To elucidate the precise molecular geometry and crystal packing of the title compound, C(12)H(9)Cl(2)NO(2)S.
- To characterize the spatial arrangement of atoms and intermolecular interactions within the crystal structure.
- To provide a foundation for understanding the structure-property relationships of this class of sulfonamides.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of torsion angles and interplanar tilt revealed the molecule's conformation.
- Identification of hydrogen bonding networks (N-H⋯O) characterized the crystal structure assembly.
Main Results:
- The molecule exhibits a significant C-SO(2)-NH-C torsion angle of 82.5(2)°, indicating a bent geometry at the sulfur atom.
- The two phenyl rings are tilted relative to each other by an angle of 43.5(1)°.
- The crystal lattice is organized into chains facilitated by intermolecular N-H⋯O hydrogen bonds.
Conclusions:
- The determined molecular and crystal structure provides a detailed description of the title compound.
- The observed bent conformation and hydrogen bonding patterns are key features influencing the compound's solid-state properties.
- This structural data serves as a valuable reference for future studies on related sulfonamide derivatives.
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