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Crystal structure of 4-formylpyridine semicarbazone hemihydrate
The molecule of the title compound C(7)H(8)N(4)O·0.5H(2)O, alternatively called (E)-1-(pyridin-4-ylmethylene)semicarbazide 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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420042/ https://www.ncbi.nlm.nih.gov/pubmed/25995925 http://dx.doi.org/10.1107/S2056989015007276 |
Sumario: | The molecule of the title compound C(7)H(8)N(4)O·0.5H(2)O, alternatively called (E)-1-(pyridin-4-ylmethylene)semicarbazide 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 molecule 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 intramolecular N—H⋯N hydrogen bond. In the crystal, molecules are linked into an infinite three-dimensional network by classical N—H⋯O(s) (s = semicarbazone) and O(w)—H⋯N (w = water) hydrogen bonds. |
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