2-((E)-{2-[(E)-2,3-Dihydroxy-benzyl-ideneamino]-5-methyl-phen-yl}iminiometh-yl)-6-hydroxy-phenolate.

ABSTRACT: The asymmetric unit of the title Schiff base compound, C(21)H(18)N(2)O(4), consists of four independent zwitterions (A, B, C and D) with similar conformations. In each independent mol-ecule, the methyl group is disordered over two positions; the occupancies of the two positions are 0.819?(5) and 0.181?(5) in mol-ecule A, 0.912?(5) and 0.088?(5) in B, 0.734?(5) and 0.266?(5) in C, and 0.940?(6) and 0.060?(6) in D. The dihydroxy-phenyl and the hydroxy-phenolate rings in mol-ecule A form dihedral angles of 17.36?(12) and 13.30?(12)°, respectively, with the central benzene ring, whereas the respective angles for mol-ecules B, C and D are 30.22?(11)/7.46?(11), 35.26?(12)/11.01?(12) and 39.89?(12)/4.29?(12)°. In all independent mol-ecules, intra-molecular N-H?O and O-H?N hydrogen bonds generate S(6) ring motifs. The four independent mol-ecules are linked into two pairs, viz. A-B and C-D, by inter-molecular O-H?O hydrogen bonds. These pairs are linked into a two-dimensional network parallel to the ab plane by C-H?O hydrogen bonds. In addition, C-H?? and ?-? [centroid-centroid distance = 3.5153?(14)-3.7810?(15)?Å] inter-actions stabilize the crystal structure.

SUBMITTER: Eltayeb NE 

PROVIDER: S-EPMC2969866 | biostudies-other | 2009

REPOSITORIES: biostudies-other