Cargando…
(2,6-Bis{5-amino-3-tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)diazenyl]-1H-pyrazol-1-yl}-4-oxo-1,4-dihydro-1,3,5-triazin-1-ido)methanol(phenol)sodium phenol tetrasolvate
The title compound, [Na(C(23)H(28)N(17)OS(2))(CH(3)OH)(C(6)H(5)OH)]·4C(6)H(5)OH, is a five-coordinate Na(I) complex. The Na(+) cation is bound to three N atoms of the triazinide ligand, two from each pyrazole ring and one from the central deprotonated triazine ring system. O atoms from a methanol an...
Autores principales: | , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983962/ https://www.ncbi.nlm.nih.gov/pubmed/21580548 http://dx.doi.org/10.1107/S160053681001086X |
Sumario: | The title compound, [Na(C(23)H(28)N(17)OS(2))(CH(3)OH)(C(6)H(5)OH)]·4C(6)H(5)OH, is a five-coordinate Na(I) complex. The Na(+) cation is bound to three N atoms of the triazinide ligand, two from each pyrazole ring and one from the central deprotonated triazine ring system. O atoms from a methanol and a phenol molecule complete the five-coordinate NaN(3)O(2) coordination environment. The asymmetric unit also includes three complete and two half phenol molecules, four of which are hydrogen bonded to the N atoms of the thiadiazole ring. Two of the phenol solvent molecules are disordered over two discrete inversion centres. The triazinide ligand is essentially planar (mean deviation from the least-squares plane = 0.0524 Å), with the methyl groups of the tert-butyl substituents on the pyrazole rings located above and below the plane. The planarity of this system is further assisted by the formation of four intramolecular N—H⋯N hydrogen bonds between the N—H bonds of both amino groups on the pyrazole rings and the N atoms of the triazine ring and also from each of the adjacent diazene (–N=N–) bonds. The highly polar molecules are stacked along the a axis through the central Na atom sandwiched by two kinds of alternating intermolecular hydrogen bonds: O(carbonyl)⋯H—O(methanol)/Na/O—H(phenol)⋯O(carbonyl). These interactions form two polymer chains per molecule. |
---|