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Tris(piperazinediium) bis-[tris-(pyridine-2,6-dicarboxyl-ato)neodymate(III)] 15.33-hydrate.

Derikvand Z, Aghabozorg H, Nemati A, Ghadermazi M, Attar Gharamaleki J - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: Considerable C-O⋯π stacking inter-actions between CO groups of carboxyl-ate fragments and aromatic rings of pydc(2-) with distances of 3.135 (5)-3.255 (5) Å are observed.In the crystal structure, a wide range of hydrogen-bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C-O⋯π stacking interactions connect the various components into a supra-molecular structure.There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.

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ABSTRACT
The title compound, (C(4)H(12)N(2))(3)[Nd(C(7)H(3)NO(4))(3)](2)·15.33H(2)O or (pipzH(2))(3)[Nd(pydc)(3)](2)·15.33H(2)O (in which pipz is piperazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of NdCl(3)·6H(2)O with the proton-transfer compound (pipzH(2))(pydc) in aqueous solution. The nine donor atoms of the three pydc(2-) ligands form a distorted tricapped trigonal-prismatic arrangement around the Nd(III) center. Considerable C-O⋯π stacking inter-actions between CO groups of carboxyl-ate fragments and aromatic rings of pydc(2-) with distances of 3.135 (5)-3.255 (5) Å are observed. In the crystal structure, a wide range of hydrogen-bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C-O⋯π stacking interactions connect the various components into a supra-molecular structure. There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.

No MeSH data available.


The crystal packing of the compound (I), hydrogen bonds are shown as dashed lines.
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Fap4: The crystal packing of the compound (I), hydrogen bonds are shown as dashed lines.


Tris(piperazinediium) bis-[tris-(pyridine-2,6-dicarboxyl-ato)neodymate(III)] 15.33-hydrate.

Derikvand Z, Aghabozorg H, Nemati A, Ghadermazi M, Attar Gharamaleki J - Acta Crystallogr Sect E Struct Rep Online (2008)

The crystal packing of the compound (I), hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2960278&req=5

Fap4: The crystal packing of the compound (I), hydrogen bonds are shown as dashed lines.
Bottom Line: Considerable C-O⋯π stacking inter-actions between CO groups of carboxyl-ate fragments and aromatic rings of pydc(2-) with distances of 3.135 (5)-3.255 (5) Å are observed.In the crystal structure, a wide range of hydrogen-bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C-O⋯π stacking interactions connect the various components into a supra-molecular structure.There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, (C(4)H(12)N(2))(3)[Nd(C(7)H(3)NO(4))(3)](2)·15.33H(2)O or (pipzH(2))(3)[Nd(pydc)(3)](2)·15.33H(2)O (in which pipz is piperazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of NdCl(3)·6H(2)O with the proton-transfer compound (pipzH(2))(pydc) in aqueous solution. The nine donor atoms of the three pydc(2-) ligands form a distorted tricapped trigonal-prismatic arrangement around the Nd(III) center. Considerable C-O⋯π stacking inter-actions between CO groups of carboxyl-ate fragments and aromatic rings of pydc(2-) with distances of 3.135 (5)-3.255 (5) Å are observed. In the crystal structure, a wide range of hydrogen-bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.608 (10) to 3.278 (7) Å], ion-pairing and C-O⋯π stacking interactions connect the various components into a supra-molecular structure. There is a high degree of solvent disorder in the structure; the occupancies of five water molecules refined to 0.6, 0.5, 0.4, 0.25 and 0.25.

No MeSH data available.