The asymmetric unit of the title compound, C(3)H(12)N(2) (2+)·2C(6)H(4)NO(2) (-)·H(2)O, consists of half of a doubly protonated propane-1,3-diammonium dication, a pyridine-4-carboxyl-ate anion and half of a solvent water mol-ecule; the dication and the solvent water are located on a twofold rotation axis which passes through the central C atom of the dication and the water O atom. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths. In the crystal, the components are linked by inter-molecular N-Hâ¯O, N-Hâ¯N and O-Hâ¯O hydrogen bonds.
Propane-1,3-diaminium bis-(pyridine-4-carboxyl-ate) monohydrate.
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作者:Brito Iván, Vallejos Javier, Cárdenas Alejandro, López-RodrÃguez MatÃas
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2011 | 起止号: | 2011 Sep 1; 67(Pt 9):o2423 |
| doi: | 10.1107/S1600536811033502 | ||
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