Aripiprazole salts. III. Bis(aripiprazolium) oxalate-oxalic acid (1/1)

ELEONORA FREIRE; GRISELDA POLLA; RICARDO BAGGIO

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

WILEY-BLACKWELL PUBLISHING, INC

Lugar: Londres; Año: 2013 vol. 69 p. 186 - 190

0108-2701

The asymmetric unit of the title salt [systematic name: bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4 tetrahydroquinolin-7-yl)oxy]butyl}piperazin-1-ium) oxalate–oxalic acid (1/1)], 2C23H28Cl2N3O2+C2O42-C2H2O4, consists of one protonatedaripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip+ cations is also similar to those in reported Arip compounds crystallizing in the space group P1, with head-to-head N—H O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (012). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which ‘pierce’ the planar ribbons, interacting with them through a number of stronger N— H O and weaker C—H O hydrogen bonds, forming a three-dimensional network.23H28Cl2N3O2+C2O42-C2H2O4, consists of one protonatedaripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip+ cations is also similar to those in reported Arip compounds crystallizing in the space group P1, with head-to-head N—H O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (012). The oxalate anions and oxalic acid molecules form hydrogen-bonded chains running along [010], which ‘pierce’ the planar ribbons, interacting with them through a number of stronger N— H O and weaker C—H O hydrogen bonds, forming a three-dimensional network.