(E)-4-(4-Hydr-oxy-3-nitro-benzyl-idene-amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Pyrazole derivatives are important scaffolds in medicinal chemistry and materials science.
• Understanding the solid-state structure of organic compounds is crucial for predicting their properties.

Purpose of the Study:

• To characterize the crystal structure of a novel pyrazole compound.
• To investigate the molecular conformation and intermolecular interactions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of dihedral angles and hydrogen bonding interactions was performed.

Main Results:

• The title compound, C(18)H(16)N(4)O(4), exhibits distinct dihedral angles (4.73° and 44.24°) between the central pyrazole ring and pendant aromatic rings.
• An intramolecular O-H⋯O hydrogen bond was identified.
• Intermolecular C-H⋯O interactions contribute to crystal packing.

Conclusions:

• The study provides detailed structural insights into a novel pyrazole derivative.
• The identified hydrogen bonding and intermolecular interactions are key to understanding the compound's solid-state behavior.