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2,6-Bis(tosyl-oxymeth-yl)pyridine.

Lynette Komarsamy, Muhammad D Bala, Holger B Friedrich

Acta Crystallographica. Section E, Structure Reports Online

|April 28, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of a novel compound, C(21)H(21)NO(6)S(2). The molecular structure features a pyridine ring and a tosyl moiety with specific planar arrangements and a defined dihedral angle.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure Analysis

Background:

Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
The pyridine ring and tosyl groups are common structural motifs in medicinal chemistry and materials science.

Purpose of the Study:

To elucidate the detailed crystal structure of the title compound, C(21)H(21)NO(6)S(2).
To analyze the spatial relationship and planarity of the pyridine ring and the tosyl moiety within the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
The crystallographic data was processed to identify atomic positions, bond lengths, and angles.

Main Results:

The title compound crystallizes with a molecular formula of C(21)H(21)NO(6)S(2).
The crystal structure is organized around a twofold axis, with the pyridine and tosyl moieties exhibiting near-planar geometries.
A dihedral angle of 33.0(2)° was measured between the mean planes of the pyridine ring and the tosyl group.

Conclusions:

The precise crystal structure of C(21)H(21)NO(6)S(2) has been determined.
The observed planarity and dihedral angle provide insights into the conformational preferences and potential intermolecular interactions of this compound.