Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

Antonio Llinàs; Laszlo Fabian; Jonathan C. Burley; Jacco van de Streek; Jonathan M. Goodman

doi:10.1107/s1600536806033691

Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

Antonio Llinàs, Laszlo Fabian, Jonathan C. Burley, Jacco van de Streek, Jonathan M. Goodman

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

20 Citations (Scopus)

Abstract

The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C₂₀H₂₄ClN₃O²⁺·2Cl^-·2H₂O, has one amodiaquinium dication, two Cl^- anions and two water molecules in the asymmetric unit. The crystal structure was solved by simulated annealing from laboratory X-ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final R_wp of 0.047 to 1.79 Å resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl^- ions.

Original language	English
Pages (from-to)	o4196-o4199
Number of pages	4
Journal	Acta Crystallographica Section E
Volume	62
Issue number	9
DOIs	https://doi.org/10.1107/s1600536806033691
Publication status	Published - 2006

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10.1107/s1600536806033691

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title = "Amodiaquinium dichloride dihydrate from laboratory powder diffraction data",

abstract = "The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C20H24ClN3O2+·2Cl-·2H2O, has one amodiaquinium dication, two Cl- anions and two water molecules in the asymmetric unit. The crystal structure was solved by simulated annealing from laboratory X-ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final Rwp of 0.047 to 1.79 {\AA} resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl- ions.",

author = "Antonio Llin{\`a}s and Laszlo Fabian and Burley, {Jonathan C.} and {van de Streek}, Jacco and Goodman, {Jonathan M.}",

year = "2006",

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language = "English",

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pages = "o4196--o4199",

journal = "Acta Crystallographica Section E",

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T1 - Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

AU - Llinàs, Antonio

AU - Fabian, Laszlo

AU - Burley, Jonathan C.

AU - van de Streek, Jacco

AU - Goodman, Jonathan M.

PY - 2006

Y1 - 2006

N2 - The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C20H24ClN3O2+·2Cl-·2H2O, has one amodiaquinium dication, two Cl- anions and two water molecules in the asymmetric unit. The crystal structure was solved by simulated annealing from laboratory X-ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final Rwp of 0.047 to 1.79 Å resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl- ions.

AB - The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C20H24ClN3O2+·2Cl-·2H2O, has one amodiaquinium dication, two Cl- anions and two water molecules in the asymmetric unit. The crystal structure was solved by simulated annealing from laboratory X-ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final Rwp of 0.047 to 1.79 Å resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl- ions.

U2 - 10.1107/s1600536806033691

DO - 10.1107/s1600536806033691

M3 - Article

VL - 62

SP - o4196-o4199

JO - Acta Crystallographica Section E

JF - Acta Crystallographica Section E

IS - 9

ER -