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Orphenadrinium picrate.

Jasinski JP, Butcher RJ, Siddaraju BP, Yathirajan HS, Narayana B - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The picrate anion inter-acts 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 inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-molecular inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network.

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ABSTRACT
In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methyl-phen-yl)(phen-yl)meth-oxy]ethanaminium 2,4,6-tri-nitro-phenolate}, 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 inter-acts 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 inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-molecular inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network.

No MeSH data available.


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Packing diagram of the title compound viewed down the a axis. Only the highest occupied atoms in the disordered phenyl rings [occupancy C1A–C14A = 0.662 (4)] are shown. Dashed lines indicate weak intermolecular C—H···O hydrogen bond interactions creating a 3-D supramolecular structure.
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Fap3: Packing diagram of the title compound viewed down the a axis. Only the highest occupied atoms in the disordered phenyl rings [occupancy C1A–C14A = 0.662 (4)] are shown. Dashed lines indicate weak intermolecular C—H···O hydrogen bond interactions creating a 3-D supramolecular structure.


Orphenadrinium picrate.

Jasinski JP, Butcher RJ, Siddaraju BP, Yathirajan HS, Narayana B - Acta Crystallogr Sect E Struct Rep Online (2010)

Packing diagram of the title compound viewed down the a axis. Only the highest occupied atoms in the disordered phenyl rings [occupancy C1A–C14A = 0.662 (4)] are shown. Dashed lines indicate weak intermolecular C—H···O hydrogen bond interactions creating a 3-D supramolecular structure.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050380&req=5

Fap3: Packing diagram of the title compound viewed down the a axis. Only the highest occupied atoms in the disordered phenyl rings [occupancy C1A–C14A = 0.662 (4)] are shown. Dashed lines indicate weak intermolecular C—H···O hydrogen bond interactions creating a 3-D supramolecular structure.
Bottom Line: The picrate anion inter-acts 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 inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-molecular inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title molecular salt {systematic name: N,N-dimethyl-2-[(2-methyl-phen-yl)(phen-yl)meth-oxy]ethanaminium 2,4,6-tri-nitro-phenolate}, 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 inter-acts 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 inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-molecular inter-actions and weak π-π stacking inter-actions [centroid-centroid distances = 3.677 (2) and 3.515 (3) Å} stabilize the crystal packing, creating a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus