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Bis(2,6-diamino-pyridinium) bis-(hydrogen oxalate) monohydrate.

ABSTRACT: The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (-)·H(2)O, contains two crystallographically independent 2,6-diamino-pyridinium cations, a pair of hydrogen oxalate anions and a water mol-ecule. Both 2,6-diamino-pyridinium cations are planar, with maximum deviations of 0.011?(2) and 0.015?(1)?Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01?(11) and 63.48?(11)°. In the crystal, the cations, anions and water mol-ecules are linked via O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Al-Dajani MT

PROVIDER: S-EPMC3052081 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Bis(2,6-diamino-pyridinium) bis-(hydrogen oxalate) monohydrate.

Al-Dajani Mohammad T M MT Talaat Jamal J Shamsuddin Shaharum S Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110209 Pt 3

The asymmetric unit of the title compound, 2C(5)H(8)N(3) (+)·2C(2)HO(4) (-)·H(2)O, contains two crystallographically independent 2,6-diamino-pyridinium cations, a pair of hydrogen oxalate anions and a water mol-ecule. Both 2,6-diamino-pyridinium cations are planar, with maximum deviations of 0.011 (2) and 0.015 (1) Å, and are protonated at the pyridine N atoms. The hydrogen oxalate anions adopt twisted conformations and the dihedral angles between the planes of their carboxyl groups are 31.01 (1 ...[more]

PMID: 21522352

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