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Hemipiperazinediium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O')gallate(III) pyridine-2,6-dicarboxylic acid dihydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(4)H(12)N(2))(0.5)[Ga(pydc)(2)]·pydcH(2)·2H(2)O, where pydcH(2) is pyridine-2,6-dicarboxylic acid, C(7)H(5)NO(4), contains one half of a centrosymmetric piperazinediium dication, one anion, one uncoord-inated pydcH(2) mol-ecule and two uncoordinated water mol-ecules, one of which is disordered over two sites in a 1:1 ratio. In the anion, the Ga(III) ion is coordinated by four O atoms [Ga-O = 1.9706?(16)-2.0494?(15)?Å] and two N atoms [Ga-N = 1.9660?(18) and 1.9709?(17)?Å] from two pydc ligands in a distorted octa-hedral geometry. The crystal structure exhibits inter-molecular O-H?O, N-H?O and O-H?N hydrogen bonds and ?-? inter-actions [centroid-centroid distances of 3.5359?(13) and 3.6550?(14)?Å].

SUBMITTER: Rafizadeh M

PROVIDER: S-EPMC2959419 | biostudies-other | 2008 Sep

REPOSITORIES: biostudies-other

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Hemipiperazinediium bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O')gallate(III) pyridine-2,6-dicarboxylic acid dihydrate.

Rafizadeh Masoud M Nemati Andya A Derikvand Zohreh Z

Acta crystallographica. Section E, Structure reports online 20080920 Pt 10

The asymmetric unit of the title compound, (C(4)H(12)N(2))(0.5)[Ga(pydc)(2)]·pydcH(2)·2H(2)O, where pydcH(2) is pyridine-2,6-dicarboxylic acid, C(7)H(5)NO(4), contains one half of a centrosymmetric piperazinediium dication, one anion, one uncoord-inated pydcH(2) mol-ecule and two uncoordinated water mol-ecules, one of which is disordered over two sites in a 1:1 ratio. In the anion, the Ga(III) ion is coordinated by four O atoms [Ga-O = 1.9706 (16)-2.0494 (15) Å] and two N atoms [Ga-N = 1.9660 (1 ...[more]

PMID: 21201039

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