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Updated: Jun 1, 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
N-(4-Chloro-benzo-yl)benzene-sulfonamide
Summary
This study details the crystal structure of a specific compound, C(13)H(10)ClNO(3)S. Molecular conformation and intermolecular hydrogen bonding were analyzed, revealing key structural features.
Area of Science:
- Crystallography and Molecular Structure
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details on molecular conformation and intermolecular interactions.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(13)H(10)ClNO(3)S.
- To analyze the molecular conformation, including bond orientations and dihedral angles.
- To identify and characterize intermolecular interactions, such as hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement and bond parameters.
- Analysis of crystallographic data included measurements of dihedral angles and identification of hydrogen bonding networks.
Main Results:
- The crystal structure of C(13)H(10)ClNO(3)S was successfully determined.
- A notable anti conformation was observed between the N-H bond and the C=O bond within the C-SO(2)-NH-C(O) segment.
- Significant dihedral angles were measured between aromatic rings (68.6°), at the sulfur atom (75.7°), and within the molecular backbone (8.3°).
- Intermolecular N-H⋯O(S) hydrogen bonds were identified as the primary stabilizing interactions in the crystal structure.
Conclusions:
- The crystal structure provides a precise geometric description of the title compound.
- The observed conformation and hydrogen bonding pattern are key factors influencing the compound's solid-state packing and properties.
- This structural data serves as a foundation for further studies on structure-activity relationships or material properties.
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