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5-Bromo-phthalazine hemihydrate.

ABSTRACT: The title compound, C(8)H(5)BrN(2)·0.5H(2)O, is a phthalazine derivative synthesized from 3-bromo-benzene-1,2-dicarbaldehyde and hydrazine. The mol-ecule 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 mol-ecule is situated on a twofold rotation axis. In the crystal, O-H?N hydrogen bonds and short N?Br [2.980?(3)?Å] contacts lead to the formation of a two-dimensional network parallel to (101).

SUBMITTER: Cai M

PROVIDER: S-EPMC3414339 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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5-Bromo-phthalazine hemihydrate.

Cai Mingjian M

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

The title compound, C(8)H(5)BrN(2)·0.5H(2)O, is a phthalazine derivative synthesized from 3-bromo-benzene-1,2-dicarbaldehyde and hydrazine. The mol-ecule 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 mol-ecule is situated on a twofold rotation axis. In the crystal, O-H⋯N hydrogen bonds and short N⋯Br [2.980 (3) Å] contacts lead to the formation of a two-dimensional network parallel to (101). ...[more]

PMID: 22904872

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