5-Methoxy-methyl-4-phen-oxy-1H-pyrazol-3-ol

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 and reactivity.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C(11)H(12)N(2)O(3).
• To analyze the molecular geometry and intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular conformation.
• Identification of hydrogen bonds and C-H···π interactions characterized the crystal packing.

Main Results:

• The pyrazole ring system was found to be essentially planar.
• A dihedral angle of 66.93° was observed between the pyrazole and benzene rings.
• Intermolecular N-H⋯O and O-H⋯N hydrogen bonds formed dimers with R(2)(2)(10) and R(2)(2)(8) ring motifs, respectively.
• Crystal structure stabilization was further attributed to C-H⋯π interactions.

Conclusions:

• The study successfully determined and described the crystal structure of the title pyrazole compound.
• The identified hydrogen bonding and C-H···π interactions are key factors in the observed crystal packing and stability.
• This structural information provides a foundation for further investigations into the compound's potential applications.