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Open AccessArticle10.1107/s1600536811001541

4-Methoxyquinolinium-2-carboxylate dihydrate

Madhukar Hemamalini,Hoong‐Kun Fun-2011-01-21-Acta Crystallographica Section E Structure Reports Online
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TL;DRAbstract

The title hydrated quinoline derivative, C(11)H(9)NO(3)·2H(2)O, crystallizes as a zwitterion in which the quinoline N atom is protonated. The quinoline ring is essentially planar, with a maximum deviation of 0.017 (2) Å. An intra-molecular N-H⋯O hydrogen bond between the protonated N atom and the O atom of the carboxyl-ate group in the zwitterion forms an S(5) ring motif. In the crystal, the zwitterions are connected into inversion dimers via pairs of N-H⋯O and C-H⋯O hydrogen bonds with R(2) (2)(4) and R(1) (2)(6) motifs. The water mol-ecules are connected via O-H⋯O hydrogen bonds, forming supra-molecular chains along the c axis. Furthermore, the chains and the dimers are connected via O-H⋯O hydrogen bonds, forming ladder-like supra-molecular ribbons along the c axis.

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The title hydrated quinoline derivative, C(11)H(9)NO(3)·2H(2)O, crystallizes as a zwitterion in which the quinoline N atom is protonated. The quinoline ring is essentially planar, with a maximum deviation of 0.017 (2) Å. An intra-molecular N-H⋯O hydrogen bond between the protonated N atom and the O atom of the carboxyl-ate group in the zwitterion forms an S(5) ring motif. In the crystal, the zwitterions are connected into inversion dimers via pairs of N-H⋯O and C-H⋯O hydrogen bonds with R(2) (2)(4) and R(1) (2)(6) motifs. The water mol-ecules are connected via O-H⋯O hydrogen bonds, forming supra-molecular chains along the c axis. Furthermore, the chains and the dimers are connected via O-H⋯O hydrogen bonds, forming ladder-like supra-molecular ribbons along the c axis.

Keywords

ZwitterionHydrogen bondChemistryQuinolineProtonationRing (chemistry)CrystallographyCarboxylate

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