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N'-(3-Bromo-5-chloro-2-hy-droxy-benzyl-idene)-2H-1,3-benzodioxole-5-carbo-hydrazide.

Jiao Wei¹, Hong-Yan Ban, Xiao-Zhi Sun

¹School of Chemical Engineering, University of Science and Technology Liaoning, Anshan 114051, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 17, 2012

Summary

This study details the crystal structure of a novel hydrazone compound, C(15)H(10)BrClN(2)O(4). The research reveals distinct molecular conformations and intermolecular hydrogen bonding critical for its crystalline arrangement.

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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure

Background:

Hydrazone compounds are versatile organic molecules with diverse applications.
Understanding molecular packing and interactions is crucial for material science.

Purpose of the Study:

To elucidate the crystal structure of the title hydrazone compound.
To analyze the conformational preferences and intermolecular interactions.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Dihedral angles and hydrogen bonding patterns were analyzed.

Main Results:

The asymmetric unit contains two independent molecules with varying dihedral angles between benzene rings (38.7° and 24.3°).
Both molecules adopt trans conformations around the C=N bonds.
Intramolecular O-H⋯N interactions form S(6) rings.
Intermolecular N-H⋯O hydrogen bonds link molecules into chains along the a-axis.

Conclusions:

The study provides detailed structural insights into the C(15)H(10)BrClN(2)O(4) hydrazone.
The observed hydrogen bonding network dictates the compound's crystal packing.