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Crystal structure of 4-formyl-pyridine semicarbazone hemihydrate.

ABSTRACT: The mol-ecule of the title compound C7H8N4O·0.5H2O, alternatively called (E)-1-(pyridin-4-yl-methyl-ene)semi-carb-azide hemihydrate, is in the E conformation and is almost planar; the r.m.s. deviation of the positions of the atoms of the pyridine ring from the best-fit plane is 0.0039?Å. The C, N and O atoms of the rest of the mol-ecule sits close on this plane with a largest deviation of 0.115?(4)?Å for the O atom of the semicarbazone moiety. There is an intra-molecular N-H?N hydrogen bond. In the crystal, mol-ecules are linked into an infinite three-dimensional network by classical N-H?Os (s = semicarbazone) and Ow-H?N (w = water) hydrogen bonds.

SUBMITTER: Inoue MH

PROVIDER: S-EPMC4420042 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of 4-formyl-pyridine semicarbazone hemihydrate.

Inoue Mayara Hissami MH Back Davi F DF Burrow Robert A RA Nunes Fábio Souza FS

Acta crystallographica. Section E, Crystallographic communications 20150418 Pt 5

The mol-ecule of the title compound C7H8N4O·0.5H2O, alternatively called (E)-1-(pyridin-4-yl-methyl-ene)semi-carb-azide hemihydrate, is in the E conformation and is almost planar; the r.m.s. deviation of the positions of the atoms of the pyridine ring from the best-fit plane is 0.0039 Å. The C, N and O atoms of the rest of the mol-ecule sits close on this plane with a largest deviation of 0.115 (4) Å for the O atom of the semicarbazone moiety. There is an intra-molecular N-H⋯N hydrogen bond. In ...[more]

PMID: 25995925

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