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2-[(E)-(2-Morpholinoethyl)iminiomethyl]-4-nitro-1-oxocyclohexadienide
The molecule of the title compound, C(13)H(17)N(3)O(4), exists as a zwitterion, with the H atom of the phenol group being transferred to the imine N atom. The C=O, C(Ar)—C(Ar) and C—N bond lengths are in agreement with the oxocyclohexadienide–iminium zwitterionic form. A strong intramolecular N(...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977119/ https://www.ncbi.nlm.nih.gov/pubmed/21583542 http://dx.doi.org/10.1107/S1600536809026191 |
Sumario: | The molecule of the title compound, C(13)H(17)N(3)O(4), exists as a zwitterion, with the H atom of the phenol group being transferred to the imine N atom. The C=O, C(Ar)—C(Ar) and C—N bond lengths are in agreement with the oxocyclohexadienide–iminium zwitterionic form. A strong intramolecular N(+)—H⋯O hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. In the crystal, molecules are linked into centrosymmetric dimers by intermolecular N—H⋯O hydrogen bonds. In addition, C—H⋯O hydrogen bonds and very weak C—H⋯π interactions are observed. |
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