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|November 18, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a phenothiazine derivative, 3-(5,5-dioxo-phen-othia-zin-10-yl)-N,N,2-trimethyl-propanaminium chloride. The research highlights the molecule's specific dihedral angle and intermolecular interactions within its crystal lattice.

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Area of Science:

Crystallography
Materials Science
Organic Chemistry

Background:

Phenothiazine derivatives are known for diverse biological and material properties.
Understanding the solid-state structure is crucial for predicting and optimizing compound behavior.
The specific compound 3-(5,5-dioxo-phen-othia-zin-10-yl)-N,N,2-trimethyl-propanaminium chloride has potential applications yet to be fully explored.

Purpose of the Study:

To elucidate the crystal structure of 3-(5,5-dioxo-phen-othia-zin-10-yl)-N,N,2-trimethyl-propanaminium chloride.
To determine the precise molecular geometry, including key dihedral angles.
To identify and characterize intermolecular interactions in the crystalline state.

Main Methods:

Single-crystal X-ray diffraction analysis was employed.
The crystal structure was solved and refined.
Intermolecular interactions such as hydrogen bonding and C-H···π interactions were analyzed.

Main Results:

The dihedral angle between the two outer aromatic rings of the phenothiazine unit was determined to be 30.5(2)°.
The crystal packing is stabilized by N-H···Cl and C-H···Cl hydrogen bonds.
C-H···π interactions were also observed, contributing to the overall crystal structure.

Conclusions:

The study provides a detailed crystallographic description of the title compound.
The identified intermolecular interactions offer insights into the compound's solid-state properties.
This structural information serves as a foundation for further research into the functional properties of this phenothiazine derivative.