2-[(E)-({4-[(4,6-Dimethyl-pyrimidin-2-yl)sulfamo-yl]phen-yl}iminio)meth-yl]-6-hy-droxy-phenolate.

ABSTRACT: The title compound, C(19)H(18)N(4)O(4)S, exists as a zwitterion in the solid state, with nominal proton transfer from a phenol group to the imine N atom. The 2,3-dihy-droxy-benzaldehyde fragment is oriented at a dihedral angle of 35.51?(11)° to the adajacent aniline group and makes a dihedral angle of 76.99?(6)° with the 4,6-dimethyl-pyrimidin-2-amine group. Intra-molecular O-H?O and N-H?O hydrogen bonds close S(5) and S(6) rings, respectively; the same O atom accepts both bonds. In the crystal, polymeric chains along [001] are formed from mol-ecules joined end-to-end by N-H?O and O-H?N hydrogen bonds; these feature R(2) (3)(6) loops. The polymeric chains are linked by C-H?O inter-actions and there are ?-? inter-actions between the pyrimidine rings with a centroid-centroid distance of 3.446?(2)?Å.

SUBMITTER: Tahir MN 

PROVIDER: S-EPMC3435708 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature