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Acta Crystallographica. Section E, Structure Reports Online

|May 19, 2011

Summary

A novel organic compound, C(22)H(16)N(2)O(4), was unexpectedly synthesized during phthalocyanine research. Structural analysis revealed specific dihedral angles between its central benzene ring and methoxy-phenoxy groups.

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Area of Science:

Organic Chemistry
Crystallography

Background:

Phthalocyanine synthesis is a complex process.
Unintended byproducts can offer new chemical insights.

Purpose of the Study:

To characterize an unexpected organic compound.
To determine the structural geometry of C(22)H(16)N(2)O(4).

Main Methods:

Single-crystal X-ray diffraction was employed.
The crystal structure of the title compound was analyzed.

Main Results:

The compound C(22)H(16)N(2)O(4) was unintentionally synthesized.
Dihedral angles between the central benzene ring and methoxy-phenoxy groups were determined to be 85.39° and 64.19°.

Conclusions:

The unexpected formation of C(22)H(16)N(2)O(4) provides a new molecular entity.
The determined dihedral angles offer insights into the compound's three-dimensional structure.