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

doi:10.1107/S010827010605520X

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

Chemistry

Research output: Contribution to journal › Article

61 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 language	English
Number of pages	3
Journal	Acta Crystallographica Section C, Crystal Structure Communications
Volume	63
Issue number	2
Early online date	23 Jan 2007
DOIs	https://doi.org/10.1107/S010827010605520X
Publication status	Published - 15 Feb 2007

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title = "Escitalopram oxalate: co-existence of oxalate dianions and oxalic acid molecules in the same crystal",

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.",

author = "Harrison, \{William T. A.\} and Yathirajan, \{H. S.\} and S. Bindya and Anilkumar, \{H. G.\} and Missing Devaraju",

year = "2007",

month = feb,

day = "15",

doi = "10.1107/S010827010605520X",

language = "English",

volume = "63",

journal = "Acta Crystallographica Section C, Crystal Structure Communications",

issn = "0108-2701",

publisher = "International Union of Crystallography",

number = "2",

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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 -

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

Abstract

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