4,4′-([4,4′-bipyridine]-1,1′-diium-1,1′-diyl)dibenzoate dihydrate

Clicks: 199
ID: 137739
2016
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Abstract
We report here the synthesis of a neutral viologen derivative, C24H16N2O4·2H2O. The non-solvent portion of the structure (Z-Lig) is a zwitterion, consisting of two positively charged pyridinium cations and two negatively charged carboxylate anions. The carboxylate group is almost coplanar [dihedral angle = 2.04 (11)°] with the benzene ring, whereas the dihedral angle between pyridine and benzene rings is 46.28 (5)°. The Z-Lig molecule is positioned on a center of inversion (Fig. 1). The presence of the twofold axis perpendicular to the c-glide plane in space group C2/c generates a screw-axis parallel to the b axis that is shifted from the origin by 1/4 in the a and c directions. This screw-axis replicates the molecule (and solvent water molecules) through space. The Z-Lig molecule links to adjacent molecules via O—H...O hydrogen bonds involving solvent water molecules as well as intermolecular C—H...O interactions. There are also π–π interactions between benzene rings on adjacent molecules.
Reference Key
rodriguez2016iucrdata4,4-([4,4-bipyridine]-1,1-diium-1,1-diyl)dibenzoate Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Mark A. Rodriguez;Dorina F. Sava Gallis;James S. Chavez;Liana M. Klivansky;Yi Liu
Journal lecture notes in civil engineering
Year 2016
DOI
10.1107/S2414314616009664
URL
http://scripts.iucr.org/cgi-bin/paper?S2414314616009664
Keywords
crystal structure hydrogen bonding bipyridinium

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