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Crystal structure of (E)-N′-(5-bromo-2-hydroxybenzylidene)nicotinohydrazide monohydrate
In the title compound, C(13)H(10)BrN(3)O(2)·H(2)O, the conformation about the azomethine double bond is E. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H⋯N hydrogen bond forming an S(6) ring motif. The whole molecule is almost planar, w...
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/PMC4518959/ https://www.ncbi.nlm.nih.gov/pubmed/26279854 http://dx.doi.org/10.1107/S2056989015009627 |
Sumario: | In the title compound, C(13)H(10)BrN(3)O(2)·H(2)O, the conformation about the azomethine double bond is E. The molecule exists in the amido form with a C=O bond length of 1.229 (2) Å. There is an intramolecular O—H⋯N hydrogen bond forming an S(6) ring motif. The whole molecule is almost planar, with an r.m.s. deviation of 0.021 Å for all non-H atoms, and the dihedral angle between the planes of the pyridine and benzene rings is 0.74 (12)°. In the crystal, the water molecule of crystallization links the organic molecules via Ow—H⋯O, Ow—H⋯N and N—H⋯Ow hydrogen bonds and short C—H⋯Ow contacts, forming sheets lying parallel to (100). Within the sheets there is a weak π–π interaction involving the pyridine and benzene rings [centroid-to-centroid distance = 3.8473 (15) Å]. The sheets are linked via C—H⋯Br interactions, forming a three-dimensional network. |
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