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Updated: May 30, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene
This study details the crystal structure of a novel organic compound, C(14)H(14)N(4). The molecule features three aromatic rings in a Z-like conformation with a specific dihedral angle, offering insights into molecular geometry.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Aromatic compounds, with their delocalized electron systems, form the backbone of many functional materials and pharmaceuticals.
Purpose of the Study:
- To elucidate the precise molecular structure and conformation of the title compound, C(14)H(14)N(4).
- To analyze the spatial arrangement of its constituent aromatic rings and quantify key geometric parameters.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
- Crystallographic analysis was performed to identify symmetry elements and measure bond lengths, bond angles, and dihedral angles.
Main Results:
- The title compound, C(14)H(14)N(4), crystallizes with a center of inversion located within the central phenyl-ene group.
- The molecule adopts a distinct Z-like conformation, characterized by three interconnected aromatic rings.
- A significant dihedral angle of 83.84(9)° was measured between the pyrazole rings and the central phenyl ring, indicating a near-perpendicular orientation.
Conclusions:
- The determined crystal structure provides a detailed understanding of the molecular geometry of C(14)H(14)N(4).
- The observed Z-like conformation and specific dihedral angles offer valuable data for computational modeling and structure-property relationship studies in related organic systems.
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