(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

Abstract

The title compound, [Na(C23H28N17OS2)(CH3OH)(C6H5OH)]·4C6H5OH, is a five-coordinate NaI 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 NaN3O2 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.