5-Bromophthalazine hemihydrate

Abstract

Key indicators: single-crystal X-ray study; T = 113 K; mean (C-C) = 0.004 Å; R factor = 0.029; wR factor = 0.074; data-to-parameter ratio = 16.7.The title compound, C 8 H 5 BrN 2 Á0.5H 2 O, is a phthalazine derivative synthesized from 3-bromobenzene-1,2-dicarbaldehyde and hydrazine. The molecule is essentially planar, the deviation from the mean plane of the phthalazine ring being 0.015 (3) Å . The O atom of the solvent water molecule is situated on a twofold rotation axis. In the crystal, O-HÁ Á ÁN hydrogen bonds and short NÁ Á ÁBr [2.980 (3) Å ] contacts lead to the formation of a two-dimensional network parallel to (101). Related literature