5-Chloro-1-phenyl-1H-pyrazol-4-amine

Area of Science:

• Crystallography
• Chemical Physics
• Molecular Structure

Background:

• Understanding molecular interactions is crucial in materials science.
• Crystal structure analysis provides insights into intermolecular forces.

Purpose of the Study:

• To determine the crystal structure of the title compound, C(9)H(8)ClN(3).
• To elucidate the intermolecular interactions governing the solid-state arrangement.

Main Methods:

• Single-crystal X-ray diffraction was employed to analyze the crystal structure.
• Hydrogen bonding and van der Waals interactions were identified.

Main Results:

• The crystal structure features amino-pyrazole N-H⋯N hydrogen bonds, forming chains along the [010] direction.
• Intermolecular interactions are primarily van der Waals forces.
• The pyrazole and phenyl rings exhibit a dihedral angle of 45.65(6)°.

Conclusions:

• The hydrogen bonding network dictates the one-dimensional chain formation.
• The observed crystal packing is influenced by both hydrogen bonding and van der Waals forces.