Zwitterionic 4-bromo-6-meth-oxy-2-{[tris-(hy-droxy-meth-yl)methyl]-iminiumyl-meth-yl}phenolate: crystal structure and Hirshfeld surface analysis.
作者： See Mun Lee , Kong Mun Lo , Sang Loon Tan , Edward R. T. Tiekink
DOI: 10.1107/S2056989016012159
关键词:
摘要: In the solid state, title compound, C12H16BrNO5 [systematic name: 4-bromo-2-((1E)-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminiumyl}methyl)-6-methoxybenzen-1-olate], C12H16BrNO5, is found in keto–amine tautomeric form, with an intramolecular iminium-N—H⋯O(phenolate) hydrogen bond and E conformation about C=N bond. Both gauche (two) anti relationships are for methylhydroxy groups. crystal, a supramolecular layer bc plane formed via hydroxy-O—H⋯O(hydroxy) charge-assisted hydroxy-O—H⋯O(phenolate) hydrogen-bonding interactions; various C—H⋯O interactions provide additional cohesion to layers, which stack along axis no directional between them. A Hirshfeld surface analysis confirms lack of specific inter-layer region.
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