Aripiprazole salts IV. Anionic plus solvato networks defining molecular conformation

ELEONORA FREIRE; GRISELDA POLLA; RICARDO BAGGIO

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2014 vol. 1068 p. 43 - 52

0022-2860

Five new examples of aripiprazole (arip) salts are presented, viz., the Harip phthalate [Harip+C8H5O4 (I)],homophthalate [Harip+C9H7O4 (II)] and thiosalicilate [Harip+C7H4O2S (III)] salts on one side, and twodifferent dihidrogenphosphates, Harip+H2PO42(H3PO4)H2O (IV) and Harip+H2PO4H3PO4 (V). Regardingthe internal structure of the aripH+ cations, they do not differ from the already known moieties in bonddistances and angles, while interesting differences in conformation can be observed, setting them apart intwo groups: those in I, II and III present similar conformations to those in the so far reported arip saltspresenting the same centrosymmetric Rð8Þ22dimeric synthon, but different to those in IV and V. Inparallel, the anion (+ acid) groups define bulky systems of different dimensionality (1D in the formergroup, 2D in the latter). The correlation between arip molecular conformation and anionic network typeis discussed. An interesting feature arises with the water solvato molecule in IV, disordered around aninversion center, in regard with its interaction with an (also disordered) phosphato O?H, in a way thatan ??orderly disordered?? H-bonding scheme arises, complying with the S.G. symmetry requirements onlyon average.