Phthalazin-1(2H)-one-picric acid (1/1)

Area of Science:

• Crystallography
• Molecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular interactions and geometric parameters is crucial in crystal engineering.
• Phthalazin-1(2H)-one and picric acid are organic compounds with distinct structural features.

Purpose of the Study:

• To elucidate the crystal structure and molecular geometry of the compound formed by phthalazin-1(2H)-one and picric acid.
• To investigate the role of hydrogen bonding in stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
• Geometric parameters, including bond lengths, bond angles, and dihedral angles, were analyzed.
• Intra- and intermolecular hydrogen bonding interactions were identified and characterized.

Main Results:

• The compound crystallizes with specific geometric parameters falling within expected ranges.
• Nitro groups of the picric acid moiety exhibit near-coplanarity with the aromatic ring.
• Intramolecular hydrogen bonding stabilizes the picric acid conformation, while intermolecular hydrogen bonds form dimers in phthalazin-1(2H)-one.

Conclusions:

• The crystal structure is characterized by well-defined geometric parameters and significant hydrogen bonding.
• The observed hydrogen bonding network dictates the overall supramolecular architecture of the compound.
• This structural information contributes to the understanding of organic crystal formation and properties.