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4,4'-Ethyl-enedipyridinium bis-(3,4,5-trihy-droxy-benzoate) sesquihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(14)N(2) (2+)·2C(7)H(5)O(5) (-)·1.5H(2)O, contains two 4,4'-ethyl-enedipyridinium cations, four gallate anions and three water mol-ecules. In the 4,4'-ethyl-enedipyridinium cations, the dihedral angles between the pyridinium rings are 4.3?(3) and 18.6?(3)°. Extensive classical N-H?O and O-H?O hydrogen bonding and weak C-H?O hydrogen bonding and C-H?? inter-actions are present in the crystal structure. ?-? stacking is also observed, the centroid-centroid separations between the benzene and pyridine rings being 3.611?(3), 3.448?(3) and 3.536?(3)?Å.

SUBMITTER: Shen FM

PROVIDER: S-EPMC3007348 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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4,4'-Ethyl-enedipyridinium bis-(3,4,5-trihy-droxy-benzoate) sesquihydrate.

Shen Fwu Ming FM Lush Shie Fu SF

Acta crystallographica. Section E, Structure reports online 20100717 Pt 8

The asymmetric unit of the title compound, C(12)H(14)N(2) (2+)·2C(7)H(5)O(5) (-)·1.5H(2)O, contains two 4,4'-ethyl-enedipyridinium cations, four gallate anions and three water mol-ecules. In the 4,4'-ethyl-enedipyridinium cations, the dihedral angles between the pyridinium rings are 4.3 (3) and 18.6 (3)°. Extensive classical N-H⋯O and O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding and C-H⋯π inter-actions are present in the crystal structure. π-π stacking is also observed, the centroid-ce ...[more]

PMID: 21588362

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