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Nicotinohydrazide.

Gustavo Portalone¹, Marcello Colapietro

¹Chemistry Department, 'Sapienza' University of Rome, P. le A. Moro, 5, I-00185 Rome, Italy.

Acta Crystallographica. Section E, Structure Reports Online

|January 5, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of pyridine-3-carbohydrazide, highlighting its unique cis-oriented C=O bond. Molecular interactions form a 3D framework through hydrogen bonding, distinct from related compounds.

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Area of Science:

Crystallography
Organic Chemistry
Molecular Structure

Background:

Nicotinic acid and nicotinamide are well-characterized pyridine derivatives.
Understanding the structural variations in related compounds provides insight into chemical properties.

Purpose of the Study:

To elucidate the crystal structure of pyridine-3-carbohydrazide.
To compare its structural features, particularly the orientation of the carbonyl group, with nicotinic acid and nicotinamide.

Main Methods:

Single-crystal X-ray diffraction analysis was performed.
The crystal structure was analyzed to determine molecular conformation and intermolecular interactions.

Main Results:

The asymmetric unit contains a single molecule of pyridine-3-carbohydrazide.
The carbonyl (C=O) bond exhibits a cis orientation relative to the C(ipso)-C-N fragment of the pyridine ring.
A dihedral angle of 34.0(2)° was observed between the pyridine ring and the hydrazide group.
Intermolecular hydrogen bonds (N-H⋯N and three-center N-H⋯O) form a three-dimensional crystal framework.

Conclusions:

Pyridine-3-carbohydrazide possesses a distinct molecular conformation compared to nicotinic acid and nicotinamide.
The observed hydrogen bonding network dictates the compound's solid-state structure and stability.