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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-(Phenyl-sulfan-yl)benzene-1,2-dicarbonitrile
Summary
The crystal structure of a novel C(14)H(8)N(2)S compound reveals an angular V-shaped configuration. This molecular geometry is defined by a 103.6° dihedral angle between its dicyano-substituted aromatic and phenyl rings.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular geometry is crucial for predicting material properties.
- Aromatic compounds with sulfur linkages offer unique electronic and structural characteristics.
- Dicyano-substitution can significantly influence molecular conformation and reactivity.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound, C(14)H(8)N(2)S.
- To analyze the conformational preferences and dihedral angles within the molecule.
- To provide a structural basis for potential applications in materials science.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles was performed.
- The crystal packing and intermolecular interactions were investigated.
Main Results:
- The title compound, C(14)H(8)N(2)S, crystallizes with a distinct angular V-shaped geometry.
- A significant dihedral angle of 103.6° was measured between the dicyano-substituted aromatic ring and the phenyl ring.
- The sulfur atom acts as a central linking atom, influencing the overall molecular conformation.
Conclusions:
- The determined V-shaped structure provides fundamental insights into the solid-state behavior of this dicyano-substituted aromatic sulfide.
- The observed dihedral angle highlights the conformational flexibility and specific spatial arrangement of the aromatic systems.
- This structural data is essential for further research into the compound's potential electronic or optical properties.
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