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Updated: Jun 1, 2026

Synthesis of Nine-atom Deltahedral Zintl Ions of Germanium and their Functionalization with Organic Groups

Synthesis of Nine-atom Deltahedral Zintl Ions of Germanium and their Functionalization with Organic Groups

Published on: February 11, 2012

9-O-Ethyl-berberrubinium iodide monohydrate.

Peter Grundt¹, Jennifer Pernat, Bogdana Krivogorsky

¹Department of Chemistry and Biochemistry, University of Minnesota Duluth, 1039 University Dr., Duluth, MN 55812, USA.

Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

This study details the crystal structure of a novel isoquinoline derivative, revealing intermolecular interactions like pi-pi stacking and C-H...O bonds. The iodide anions exhibit disorder, and the cationic molecule is nearly planar.

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Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

Isoquinoline derivatives are significant in medicinal chemistry and materials science.
Understanding the solid-state structure is crucial for predicting molecular properties and interactions.

Purpose of the Study:

To elucidate the crystal structure and intermolecular interactions of a specific isoquinoline derivative.
To analyze the packing arrangement and bonding in the solid state.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of intermolecular interactions, including pi-pi stacking and hydrogen bonding, was performed.

Main Results:

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The asymmetric unit contains two independent cationic molecules and associated iodide anions and water molecules.

Weak intermolecular pi-pi stacking interactions were observed with centroid-centroid distances ranging from 3.571(4) to 3.815(4) Å.

Intermolecular C-H⋯O interactions and disordered iodide anions were also characterized.

Conclusions:

The study provides a detailed structural description of the title isoquinoline derivative.
The observed intermolecular interactions offer insights into the self-assembly and stability of the crystal structure.