5-Bromo-phthalazine hemihydrate

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Phthalazine derivatives are important heterocyclic compounds with diverse applications.
• Understanding the crystal packing and intermolecular interactions is crucial for material design.

Purpose of the Study:

• To synthesize a novel phthalazine derivative.
• To elucidate the crystal structure and intermolecular interactions of the synthesized compound.

Main Methods:

• Synthesis of the phthalazine derivative from 3-bromo-benzene-1,2-dicarbaldehyde and hydrazine.
• Single-crystal X-ray diffraction analysis to determine the molecular and crystal structure.

Main Results:

• The synthesized compound is a phthalazine derivative with the formula C(8)H(5)BrN(2)·0.5H(2)O.
• The molecule exhibits a nearly planar phthalazine ring structure.
• Crystal structure analysis revealed the formation of a two-dimensional network facilitated by O-H⋯N hydrogen bonds and short N⋯Br contacts.

Conclusions:

• The study successfully synthesized and characterized a new phthalazine derivative.
• The observed crystal packing highlights the role of hydrogen bonding and halogen bonding in constructing extended networks.