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1,4-Diazo-niacyclo-hexane bis-(3-carb-oxy-pyrazine-2-carboxyl-ate) dihydrate.

ABSTRACT: In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (-)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra-molecular O-H?O hydrogen bond occurs in the anion. In the crystal, O-H?O, O-H?N, N-H?O and N-H?N hydrogen bonds result in the formation of a three-dimensional network. Additionally, ?-? stacking inter-actions between the pyrazine rings with centroid-centroid distances of 3.7065?(2)?Å are observed.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC3009147 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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1,4-Diazo-niacyclo-hexane bis-(3-carb-oxy-pyrazine-2-carboxyl-ate) dihydrate.

Eshtiagh-Hosseini Hossein H Alfi Nafiseh N Mirzaei Masoud M Necas Marek M

Acta crystallographica. Section E, Structure reports online 20101013 Pt 11

In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (-)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra-molecular O-H⋯O hydrogen bond occurs in the anion. In the crystal, O-H⋯O, O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds result in the formation of a three-dimensional network. Additionally, π-π stacking inter-actions between the pyrazine rings with centroid-centroid distances of 3.7065 (2) Å are observed. ...[more]

PMID: 21589002

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