Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8)
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چکیده
The title proton-transfer compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4) (-)·2C(7)H(5)NO(4)·8H(2)O or (pnH(2))(pydcH)(2).2(pydcH(2))·8H(2)O, was obtained by the reaction of pyridine-2,6-dicarboxylic acid (pydcH(2)) and propane-1,3-diamine (pn) in aqueous solution. Both neutral and monoanionic forms of the diacid are observed in the crystal structure. The negative charge of two monoanions is balanced by the dicationic propane-1,3-diaminium species. In addition, considerable π-π stacking inter-actions between the aromatic rings of the (pydcH)(-) and (pydcH(2)) fragments [with centroid-centroid distances of 3.5108 (11)-3.5949 (11) Å] are observed. The most important feature of this crystal structure is the presence of a large number of O-H⋯O, O-H⋯N, N-H⋯O, N-H⋯N, C-H⋯O and C-H⋯N hydrogen bonds, with D⋯A ranging from 2.445 (2) to 3.485 (3) Å. These inter-actions as well as ion pairing and π-π stacking connect the various fragments into a supra-molecular structure.
منابع مشابه
Propane-1,2-diammonium bis(6-carboxypyridine-2-carboxylate) dihydrate
The reaction of propane-1,2-diamine (pn) and pyridine-2,6-dicarboxylic acid (pydcH(2)) in a 1:2 molar ratio in aqueous solution resulted in the formation of the title compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4)·2H(2)O or (pnH(2))(pydcH)(2)·2H(2)O. The structure contains two monoanionic deprotonated forms of pyridine-2,6-dicarboxylic acid molecules (pydcH)(-), a diprotonated propane-1,2-diamine ...
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