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. 2012 Apr 1;68(Pt 4):o1037-8.
doi: 10.1107/S1600536812010136. Epub 2012 Mar 10.

Triprolidinium dichloranilate-chloranilic acid-methanol-water (2/1/2/2)

Triprolidinium dichloranilate-chloranilic acid-methanol-water (2/1/2/2)

A S Dayananda et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl-phen-yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis-(2,5-dichloro-4-hy-droxy-3,6-dioxo-cyclo-hexa-1,4-dien-1-olate)-2,5-dichloro-3,6-dihy-droxy-cyclo-hexa-2,5-diene-1,4-dione-methanol-water (2/1/2/2)}, C(19)H(24)N(2) (2+)·2C(6)HCl(2)O(4) (-)·0.5C(6)H(2)Cl(2)O(4)·CH(3)OH·H(2)O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol-ecule is on an inversion symmetry element and its hy-droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol-ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O inter-actions link the components. The crystal structure also features π-π inter-actions between the benzene rings [centroid-centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].

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Figures

Fig. 1.
Fig. 1.
Molecular structure of (I) with the atom labeling scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level. Only the major component of the disorder is shown.
Fig. 2.
Fig. 2.
Perspective view of the crystal packing and hydrogen bonding of (I) down the a axis. For clarity, hydrogen atoms not involved in hydrogen bonding have been omitted and only the major component of the disorder is shown.

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