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Redetermination of {5-[(7-chloro-quinolinium-4-yl)amino]-2-hy-droxy-benz-yl}diethyl-ammonium dichloride dihydrate.

ABSTRACT: THE STRUCTURE OF THE TITLE COMPOUND (COMMON NAME: amodiaquinium dichloride dihydrate), C(20)H(24)ClN(3)O(2) (+)·2Cl(-)·2H(2)O, was previously determined from powder diffraction data [Llinàs 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)°. The central amino N atom inter-acts more strongly with the quinoline ring than with the benzene ring, as indicated by the shorter C-N bond length [1.341 (2) Å compared to 1.431 (2) Å]. In the crystal, mol-ecules are packed into a three-dimensional network/supra-molecular structure through hydrogen bonds between the amodiaquinium cations, chloride anions and water mol-ecules.

SUBMITTER: Mangwala Kimpende P 

PROVIDER: S-EPMC3007921 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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Redetermination of {5-[(7-chloro-quinolinium-4-yl)amino]-2-hy-droxy-benz-yl}diethyl-ammonium dichloride dihydrate.

Mangwala Kimpende Peter P   Van Meervelt Luc L  

Acta crystallographica. Section E, Structure reports online 20100818 Pt 9

THE STRUCTURE OF THE TITLE COMPOUND (COMMON NAME: amodiaquinium dichloride dihydrate), C(20)H(24)ClN(3)O(2) (+)·2Cl(-)·2H(2)O, was previously determined from powder diffraction data [Llinàs 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)°. The central amino N atom inter-acts more strongly with the quinoline ring than with the benzene ring,  ...[more]

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