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Acta Crystallographica. Section E, Structure Reports Online

|February 21, 2012

Summary

This summary is machine-generated.

This study details the molecular structure of C(15)H(18)N(4)O(7), revealing specific conformations of its morpholine and benzene rings. The research provides precise dihedral angles, offering insights into the compound's three-dimensional arrangement.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure Analysis

Background:

Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
Morpholine and benzene rings are common structural motifs in pharmaceuticals and materials science.

Purpose of the Study:

To elucidate the precise molecular geometry of the title compound, C(15)H(18)N(4)O(7).
To determine the conformational preferences of the morpholine and benzene rings within this specific molecule.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
Analysis of the crystal structure data allowed for the calculation of dihedral angles between key ring systems.

Main Results:

The morpholine rings within C(15)H(18)N(4)O(7) were observed to adopt stable chair conformations.
The benzene ring exhibited specific dihedral angles of 55.94(7)° and 63.19(7)° relative to the planes of the morpholine rings.

Conclusions:

The determined chair conformations of the morpholine rings and the specific dihedral angles provide a detailed understanding of the title compound's spatial arrangement.
This structural information is fundamental for further investigations into the compound's chemical behavior and potential applications.