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Updated: May 20, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
4-(Prop-2-yn-1-yl-oxy)benzene-1,2-dicarbonitrile
This study details the crystal structure of a novel organic compound, C(11)H(6)N(2)O. The research reveals specific molecular arrangements and intermolecular interactions within the crystal lattice, contributing to materials science.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular structure and intermolecular forces is crucial for designing new materials.
- Crystallographic studies provide precise atomic-level insights into compound architecture.
Purpose of the Study:
- To elucidate the crystal structure of the organic compound C(11)H(6)N(2)O.
- To analyze the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, torsion angles, and intermolecular interactions (C-H...N, pi-pi stacking) was performed.
Main Results:
- The molecule C(11)H(6)N(2)O exhibits disorder around a crystallographic twofold symmetry axis.
- The prop-2-yn-1-yl group is slightly twisted relative to the benzene ring.
- Supramolecular chains formed by C-H...N interactions are stacked along the c-axis via pi-pi interactions between benzene rings.
Conclusions:
- The crystal packing is governed by a combination of C-H...N hydrogen bonds and pi-pi stacking interactions.
- The structural data provides a foundation for understanding the physical properties and potential applications of this compound.
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