TY - JOUR
T1 - Escitalopram oxalate
T2 - co-existence of oxalate dianions and oxalic acid molecules in the same crystal
AU - Harrison, William T. A.
AU - Yathirajan, H. S.
AU - Bindya, S.
AU - Anilkumar, H. G.
AU - Devaraju, Missing
PY - 2007/2/15
Y1 - 2007/2/15
N2 - The title compound {systematic name: (+)-(S)- 3-[5-cyano-2(4-uorophenyl)-1,3-dihydroisobenzofuran-2yl] propanaminium oxalate oxalic acid 0.325-hydrate}, 2C(20)H(22)FN(2)O(+.)C(2)O(4)(2-.)-C(2)H(2)O(4)(.)0.325H(2)O, is a molecular salt of the N-protonated escitalopram cation. As well as charge-balancing oxalate dianions, neutral molecules of oxalic acid are present. The component species interact by way of N-(HO)-O-... and short O-(HO)-O-... hydrogen bonds, resulting in supramolecular chains.
AB - The title compound {systematic name: (+)-(S)- 3-[5-cyano-2(4-uorophenyl)-1,3-dihydroisobenzofuran-2yl] propanaminium oxalate oxalic acid 0.325-hydrate}, 2C(20)H(22)FN(2)O(+.)C(2)O(4)(2-.)-C(2)H(2)O(4)(.)0.325H(2)O, is a molecular salt of the N-protonated escitalopram cation. As well as charge-balancing oxalate dianions, neutral molecules of oxalic acid are present. The component species interact by way of N-(HO)-O-... and short O-(HO)-O-... hydrogen bonds, resulting in supramolecular chains.
U2 - 10.1107/S010827010605520X
DO - 10.1107/S010827010605520X
M3 - Article
SN - 0108-2701
VL - 63
JO - Acta Crystallographica Section C, Crystal Structure Communications
JF - Acta Crystallographica Section C, Crystal Structure Communications
IS - 2
ER -