Bis(3,5-dimethyl-pyrazol-1-yl)acetic acid.

Area of Science:

• Crystallography
• Supramolecular Chemistry

Background:

• Pyrazole derivatives are important scaffolds in medicinal chemistry.
• Understanding molecular packing and intermolecular interactions is crucial for material design.

Purpose of the Study:

• To characterize the crystal structure of a novel pyrazole-containing compound.
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed.
• The crystal structure was solved and refined.

Main Results:

• The title compound, C(12)H(16)N(4)O(2), was structurally characterized.
• A dihedral angle of 78.17(7)° was observed between the two pyrazole rings.
• Intermolecular O-H⋯N hydrogen bonds were identified, forming 1D chains along the c axis.

Conclusions:

• The crystal structure highlights specific molecular arrangements driven by hydrogen bonding.
• The observed dihedral angle influences the overall molecular conformation and packing.
• This structural information can guide the design of related compounds with tailored properties.