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Recording Gamma Band Oscillations in Pedunculopontine Nucleus Neurons

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Caffeinium bis-ulfate monohydrate.

C Vincent Jerin¹, S Athimoolam

¹Department of Physics, University College of Engineering Nagercoil, Anna University of Technology Tirunelveli, Nagercoil 629 004, India.

Acta Crystallographica. Section E, Structure Reports Online

|November 8, 2011

Summary

This summary is machine-generated.

The crystal structure of 1,3,7-trimethyl-2,6-dioxo-7H-purin-9-ium hydrogen sulfate monohydrate was determined. Crystal packing is stabilized by hydrogen bonds, revealing key intermolecular interactions.

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Area of Science:

Crystallography
Chemical Physics
Solid-state Chemistry

Background:

Understanding the solid-state structure of organic salts is crucial for predicting their physical properties.
Caffeine derivatives are common in pharmaceuticals and materials science.
Hydrogen bonding plays a significant role in crystal lattice stabilization.

Purpose of the Study:

To elucidate the crystal structure of 1,3,7-trimethyl-2,6-dioxo-7H-purin-9-ium hydrogen sulfate monohydrate.
To identify and analyze the intermolecular interactions, particularly hydrogen bonds, governing the crystal packing.
To provide a detailed crystallographic description of this purinium salt.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of bond lengths, bond angles, and intermolecular distances was performed.
Hydrogen bonding networks were identified and characterized using geometric criteria.

Main Results:

The crystal structure of 1,3,7-trimethyl-2,6-dioxo-7H-purin-9-ium hydrogen sulfate monohydrate (C(8)H(11)N(4)O(2) (+)·HSO(4) (-)·H(2)O) was successfully resolved.
The crystal packing is significantly stabilized by a network of N-H⋯O and O-H⋯O hydrogen bonds.
The presence of a water molecule of hydration was confirmed and its role in the hydrogen bonding network was observed.

Conclusions:

The study provides a comprehensive crystallographic analysis of the title compound.
The identified hydrogen bonding patterns are key to the stability and organization of the crystal lattice.
This structural information is valuable for understanding the solid-state behavior and potential applications of this purinium salt.