Escitalopram oxalate

co-existence of oxalate dianions and oxalic acid molecules in the same crystal

William T. A. Harrison, H. S. Yathirajan, S. Bindya, H. G. Anilkumar, Missing Devaraju

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

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.

Original languageEnglish
Number of pages3
JournalActa Crystallographica Section C, Crystal Structure Communications
Volume63
Issue number2
Early online date23 Jan 2007
DOIs
Publication statusPublished - 15 Feb 2007

Cite this

Escitalopram oxalate : co-existence of oxalate dianions and oxalic acid molecules in the same crystal. / Harrison, William T. A.; Yathirajan, H. S.; Bindya, S.; Anilkumar, H. G.; Devaraju, Missing.

In: Acta Crystallographica Section C, Crystal Structure Communications, Vol. 63, No. 2, 15.02.2007.

Research output: Contribution to journalArticle

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abstract = "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.",
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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

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