2-(4-Methyl-phen-yl)acetohydrazide.

Area of Science:

• Solid-state chemistry
• Crystallography
• Organic chemistry

Background:

• Understanding molecular interactions is crucial for designing materials with specific properties.
• Acetohydrazide derivatives are common motifs in medicinal chemistry and materials science.
• Crystal engineering aims to control the solid-state structure and properties of compounds.

Purpose of the Study:

• To elucidate the crystal structure of the title compound (C9H12N2O).
• To investigate the intermolecular interactions governing the solid-state arrangement.
• To characterize the dihedral angle between the aromatic and acetohydrazide moieties.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles.
• Identification and analysis of intermolecular interactions, including hydrogen bonds and van der Waals forces.

Main Results:

• The crystal structure of C9H12N2O was determined.
• A significant dihedral angle of 88.2(7)° was observed between the benzene ring and the acetohydrazide group.
• Molecules are organized into infinite ribbons along the [001] direction through N-H⋯O hydrogen bonds and weak C-H⋯O interactions.

Conclusions:

• The crystal packing is dominated by hydrogen bonding and weak interactions, leading to a ribbon-like supramolecular architecture.
• The observed dihedral angle suggests a specific conformational preference in the solid state.
• The findings contribute to the understanding of structure-property relationships in acetohydrazide derivatives.