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4-Chloro-N-(2,3-dichloro-phen-yl)-2-methyl-benzene-sulfonamide
Acta Crystallographica. Section E, Structure Reports Online
|January 6, 2012
Summary
This study details the crystal structure of a specific compound, C(13)H(10)Cl(3)NO(2)S. Molecular geometry reveals key torsion angles and ring tilt, with hydrogen bonds forming zigzag chains.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding the molecular arrangement and intermolecular interactions is crucial in solid-state chemistry.
- The specific compound C(13)H(10)Cl(3)NO(2)S presents an interesting case for structural analysis due to its functional groups.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(13)H(10)Cl(3)NO(2)S.
- To characterize the molecular geometry, including torsion angles and inter-ring orientation.
- To identify and describe the intermolecular forces stabilizing the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular conformation.
- Identification of hydrogen bonding networks and their role in crystal packing.
Main Results:
- The torsion angle of the C-SO(2)-NH-C moiety was determined to be 50.4(2)°.
- A significant tilt of 69.6(1)° was observed between the sulfonyl and aniline benzene rings.
- The crystal structure is characterized by N-H⋯O hydrogen bonds, forming zigzag chains along the b axis.
Conclusions:
- The crystal structure of C(13)H(10)Cl(3)NO(2)S is well-defined, with specific conformational preferences.
- Intermolecular N-H⋯O hydrogen bonding plays a critical role in organizing the molecules into extended chain structures.
- These findings contribute to the understanding of structure-property relationships in related organic compounds.
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