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Updated: May 31, 2026
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Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
4-Chloro-N-phenyl-benzene-sulfonamide
Summary
This study details the crystal structure of a novel compound, C(12)H(10)ClNO(2)S. It reveals specific molecular torsions and dihedral angles, with molecules forming dimers via hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Chemical Physics
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Sulfonyl-containing compounds exhibit diverse applications, necessitating detailed structural characterization.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(10)ClNO(2)S.
- To analyze the molecular conformation, including torsion angles and dihedral angles, within the crystal lattice.
- To identify intermolecular interactions, such as hydrogen bonding, that stabilize the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
- Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
- Identification of hydrogen bonding networks through crystallographic data analysis.
Main Results:
- The asymmetric unit contains two independent molecules of C(12)H(10)ClNO(2)S.
- Significant gauche torsions were observed in the C-SO(2)-NH-C segments.
- Benzene rings exhibit specific tilting angles, and a notable dihedral angle exists between the sulfonyl benzene rings of the independent molecules.
- Inversion-related dimers are formed through N-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure of C(12)H(10)ClNO(2)S is characterized by distinct molecular conformations and intermolecular hydrogen bonding.
- The observed structural features provide a foundation for understanding the compound's physical and chemical behavior.
- This detailed structural analysis contributes to the broader knowledge of sulfonyl-containing organic compounds.
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