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Orphenadrinium picrate
In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate}, C(18)H(24)NO(+)·C(6)H(2)N(3)O(7) (−), the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338 (4)]. The N atom in the orph...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050380/ https://www.ncbi.nlm.nih.gov/pubmed/21522693 http://dx.doi.org/10.1107/S1600536810049937 |
Sumario: | In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2,4,6-trinitrophenolate}, C(18)H(24)NO(+)·C(6)H(2)N(3)O(7) (−), the phenyl rings of the orphenadrinum cation are disordered [occupancies = 0.662 (4) and 0.338 (4)]. The N atom in the orphenadrinum cation is protonated. The picrate anion interacts with the protonated N atom through a bifurcated N—H⋯O hydrogen bond, forming an R (1) (2)(6) ring motif with an adjacent cation. The mean planes of the two o-NO(2) and single p-NO(2) groups in the picrate anion are twisted by 23.0 (6), 31.3 (3) and 6.3 (2)° with respect to the mean planes of the six-membered ring. Weak intermolecular C—H⋯O hydrogen bonds, C—H⋯π intermolecular interactions and weak π–π stacking interactions [centroid–centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network. |
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