Title: Redetermination of {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}diethylammonium dichloride dihydrate
Authors: Kimpende, Peter Mangwala
Van Meervelt, Luc # ×
Issue Date: Sep-2010
Publisher: International Union of Crystallography
Series Title: Acta Crystallographica E, Structure Reports Online vol:66 pages:O2353-U697
Abstract: The structure of the title compound (common name: amodiaquinium dichloride dihydrate), C20H24ClN3O2+center dot 2Cl(-)center dot 2H(2)O, was previously determined from powder diffraction data [Llinas et al. (2006). Acta Cryst. E62, o4196-o4199]. It has now been refined from diffractometer data to a significantly higher precision. The dihedral angle between the quinoline and benzene rings is 54.57 (6)degrees. The central amino N atom interacts more strongly with the quinoline ring than with the benzene ring, as indicated by the shorter C-N bond length [1.341 (2) angstrom compared to 1.431 (2) angstrom]. In the crystal, molecules are packed into a three-dimensional network/supramolecular structure through hydrogen bonds between the amodiaquinium cations, chloride anions and water molecules.
ISSN: 1600-5368
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biochemistry, Molecular and Structural Biology Section
× corresponding author
# (joint) last author

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