Orphenadrinium picrate.

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?? inter-molecular inter-actions and weak ?-? stacking inter-actions [centroid-centroid distances = 3.677?(2) and 3.515?(3)?Å} stabilize the crystal packing, creating a three-dimensional network.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC3050380 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature