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

Dayananda A. S. , Butcher R. J. , AKKURT M. , Yathirajan H. S. , Narayana B.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.68, 2012 (ESCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 68
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1107/s1600536812010136


In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl) prop1- en-1-yl] pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa- 1,4-dien-1-olate)-2,5-dichloro-3,6-dihydroxycyclohexa- 2,5-diene-1,4-dione-methanol-water (2/1/2/2)}, C19H24N22+center dot 2C(6)HCl(2)O(4)(_) center dot 0.5C(6)H(2)Cl(2)O(4) center dot CH3OH center dot H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid molecule is on an inversion symmetry element and its hydroxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent molecule is disordered over two positions in a 0.836 (4): 0.164 (4) ratio. In the crystal, N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O interactions link the components. The crystal structure also features pi-pi interactions between the benzene rings [centroid-centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) angstrom].