Paroxetine hydrochloride hemihydrate

James A Ibers

doi:10.1107/S0108270198013444

Paroxetine hydrochloride hemihydrate

James A Ibers^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

The structure of the title compound {systematic name: (3S-trans)-3-[(1 ,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidinium chloride hemihydrate, C₁₉H₂₁FNO⁺ ₃·Cl ^-·0.5H₂O}, comprises two piperidinium cations (A and B), two chloride anions, and one water molecule in the asymmetric unit. A piperidinium proton of cation A is hydrogen bonded to the water molecule. The second proton points in the direction of one chloride anion, as does a piperidinium proton of cation B. One water proton points in the direction of another chloride anion.

Original language	English (US)
Pages (from-to)	432-434
Number of pages	3
Journal	Acta crystallographica. Section C, Crystal structure communications
Volume	55
Issue number	3
DOIs	https://doi.org/10.1107/S0108270198013444
State	Published - Mar 15 1999

ASJC Scopus subject areas

Biochemistry, Genetics and Molecular Biology(all)

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10.1107/S0108270198013444

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title = "Paroxetine hydrochloride hemihydrate",

abstract = "The structure of the title compound {systematic name: (3S-trans)-3-[(1 ,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidinium chloride hemihydrate, C19H21FNO+ 3·Cl -·0.5H2O}, comprises two piperidinium cations (A and B), two chloride anions, and one water molecule in the asymmetric unit. A piperidinium proton of cation A is hydrogen bonded to the water molecule. The second proton points in the direction of one chloride anion, as does a piperidinium proton of cation B. One water proton points in the direction of another chloride anion.",

author = "Ibers, {James A}",

year = "1999",

month = mar,

day = "15",

doi = "10.1107/S0108270198013444",

language = "English (US)",

volume = "55",

pages = "432--434",

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

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publisher = "International Union of Crystallography",

number = "3",

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TY - JOUR

T1 - Paroxetine hydrochloride hemihydrate

AU - Ibers, James A

PY - 1999/3/15

Y1 - 1999/3/15

N2 - The structure of the title compound {systematic name: (3S-trans)-3-[(1 ,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidinium chloride hemihydrate, C19H21FNO+ 3·Cl -·0.5H2O}, comprises two piperidinium cations (A and B), two chloride anions, and one water molecule in the asymmetric unit. A piperidinium proton of cation A is hydrogen bonded to the water molecule. The second proton points in the direction of one chloride anion, as does a piperidinium proton of cation B. One water proton points in the direction of another chloride anion.

AB - The structure of the title compound {systematic name: (3S-trans)-3-[(1 ,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidinium chloride hemihydrate, C19H21FNO+ 3·Cl -·0.5H2O}, comprises two piperidinium cations (A and B), two chloride anions, and one water molecule in the asymmetric unit. A piperidinium proton of cation A is hydrogen bonded to the water molecule. The second proton points in the direction of one chloride anion, as does a piperidinium proton of cation B. One water proton points in the direction of another chloride anion.

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DO - 10.1107/S0108270198013444

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AN - SCOPUS:0346335781

SN - 0108-2701

VL - 55

SP - 432

EP - 434

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 3

ER -

Paroxetine hydrochloride hemihydrate

Abstract

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CCDC 131071: Experimental Crystal Structure Determination

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Paroxetine hydrochloride hemihydrate

Abstract

ASJC Scopus subject areas

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Datasets

CCDC 131071: Experimental Crystal Structure Determination

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