Dataset Information
2-{(E)-[(4-Methyl-phen-yl)imino]-meth-yl}-4-nitro-phenol-2-{(E)-[(4-methyl-phen-yl)iminio]meth-yl}-4-nitro-phenolate (0.60/0.40).
Ontology highlight
ABSTRACT:
SUBMITTER: Tahir MN
PROVIDER: S-EPMC3200654 | biostudies-literature | 2011 Sep
REPOSITORIES: biostudies-literature
Publications
2-{(E)-[(4-Methyl-phen-yl)imino]-meth-yl}-4-nitro-phenol-2-{(E)-[(4-methyl-phen-yl)iminio]meth-yl}-4-nitro-phenolate (0.60/0.40).
Acta crystallographica. Section E, Structure reports online 20110811 Pt 9
The crystal of the title compound, 0.6C(14)H(12)N(2)O(3)·0.4C(14)H(12)N(2)O(3), contains a mixture of its neutral (OH containing) and zwitterionic (NH containing) forms, in a 0.60 (4):0.40 (4) ratio. The former generates an S(6) loop via an intra-molecular O-H⋯N hydrogen bond and the latter generates an S(6) loop via an N-H⋯O hydro-gren bond. The aromatic rings are oriented at a dihedral angle of 42.52 (10)°. In the crystal, C-H⋯π inter-actions occur and aromatic π-π stacking inter-actions [cent ...[more]