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Updated: Jun 1, 2026
19:58
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-(3,4-dimethyl-phen-yl)benzamide
Summary
This study details the crystal structure of a chloro-substituted organic compound. Molecular analysis reveals specific bond orientations and intermolecular hydrogen bonding forming crystal chains.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular interactions and crystal packing is crucial in materials science and drug design.
- The specific arrangement of atoms and bonds dictates a compound's physical and chemical properties.
Purpose of the Study:
- To elucidate the crystal structure of the compound C(15)H(14)ClNO.
- To analyze the spatial arrangement of functional groups and aromatic rings within the crystal lattice.
- To investigate intermolecular interactions, specifically hydrogen bonding, that influence crystal formation.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Identification and characterization of intermolecular hydrogen bonds were performed.
Main Results:
- The N-H bond was found to be in a trans configuration relative to the C=O bond.
- A small dihedral angle of 5.5(2)° was measured between the two aromatic rings.
- Intermolecular N-H⋯O hydrogen bonds were observed, linking molecules into linear chains along the crystal's a axis.
Conclusions:
- The crystal structure of C(15)H(14)ClNO is characterized by specific intramolecular and intermolecular interactions.
- The observed hydrogen bonding network dictates the formation of one-dimensional chains in the solid state.
- These findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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