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Butane-1,4-diammonium bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Aghabozorg H, Firoozi N, Roshan L, Attar Gharamaleki J, Ghadermazi M - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral.To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present.In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

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ABSTRACT
In the title compound, (C(4)H(14)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (bdaH(2))[Cu(pydc)(2)]·3H(2)O (where bda is butane-1,4-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid), the Cu(II) atom is coordinated by four O atoms [Cu-O = 2.0557 (16)-2.3194 (16) Å] and two N atoms [Cu-N = 1.9185 (18) and 1.9638 (18) Å] from two chelating rings of the pydc(2-) anions, which act as tridentate ligands. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. The the two pydc(2-) fragments are almost perpendicular to one another [77.51 (11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present. In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

No MeSH data available.


A view of the π-π stacking interactions, between the aromatic rings of the pydc2- dianions with distances of 3.5334 (15) for Cg1···Cg1 [2-x, 1 - y, -z], and the C—O···π stacking interactions, between the carbonyl groups of the pyridine-2,6-dicarboxylate groups and the pydc2- fragments: distance O···π is 3.099 (2) Å for C8—O6···Cg1 (1 - x, 1 - y, -z) [Cg1 is the centroid for ring (N2,C9—C13)].
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Fap3: A view of the π-π stacking interactions, between the aromatic rings of the pydc2- dianions with distances of 3.5334 (15) for Cg1···Cg1 [2-x, 1 - y, -z], and the C—O···π stacking interactions, between the carbonyl groups of the pyridine-2,6-dicarboxylate groups and the pydc2- fragments: distance O···π is 3.099 (2) Å for C8—O6···Cg1 (1 - x, 1 - y, -z) [Cg1 is the centroid for ring (N2,C9—C13)].


Butane-1,4-diammonium bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Aghabozorg H, Firoozi N, Roshan L, Attar Gharamaleki J, Ghadermazi M - Acta Crystallogr Sect E Struct Rep Online (2008)

A view of the π-π stacking interactions, between the aromatic rings of the pydc2- dianions with distances of 3.5334 (15) for Cg1···Cg1 [2-x, 1 - y, -z], and the C—O···π stacking interactions, between the carbonyl groups of the pyridine-2,6-dicarboxylate groups and the pydc2- fragments: distance O···π is 3.099 (2) Å for C8—O6···Cg1 (1 - x, 1 - y, -z) [Cg1 is the centroid for ring (N2,C9—C13)].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961264&req=5

Fap3: A view of the π-π stacking interactions, between the aromatic rings of the pydc2- dianions with distances of 3.5334 (15) for Cg1···Cg1 [2-x, 1 - y, -z], and the C—O···π stacking interactions, between the carbonyl groups of the pyridine-2,6-dicarboxylate groups and the pydc2- fragments: distance O···π is 3.099 (2) Å for C8—O6···Cg1 (1 - x, 1 - y, -z) [Cg1 is the centroid for ring (N2,C9—C13)].
Bottom Line: The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral.To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present.In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, (C(4)H(14)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (bdaH(2))[Cu(pydc)(2)]·3H(2)O (where bda is butane-1,4-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid), the Cu(II) atom is coordinated by four O atoms [Cu-O = 2.0557 (16)-2.3194 (16) Å] and two N atoms [Cu-N = 1.9185 (18) and 1.9638 (18) Å] from two chelating rings of the pydc(2-) anions, which act as tridentate ligands. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. The the two pydc(2-) fragments are almost perpendicular to one another [77.51 (11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present. In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

No MeSH data available.