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Acridinium 6-carb-oxy-pyridine-2-carboxyl-ate monohydrate.

ABSTRACT: The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-)·H(2)O or (acrH)(+)(pydcH)(-)·H(2)O, is a monohydrate of acridinium cations and a mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid. The structure contains a range of non-covalent inter-actions, such as O-H?O, O-H?N and N-H?O hydrogen bonds, as well as ?-? stacking [range of centroid-centroid distances = 3.4783?(5)-3.8059?(5)?Å]. The N-H?O hydrogen bond between the donor acridinium cation and the carboxyl-ate acceptor is particularly strong. The average separation between the ?-stacked acridinium planes is 3.42?(3)?Å.

SUBMITTER: Derikvand Z

PROVIDER: S-EPMC3051510 | biostudies-other | 2011

REPOSITORIES: biostudies-other

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Acridinium 6-carb-oxy-pyridine-2-carboxyl-ate monohydrate.

Derikvand Zohreh Z Olmstead Marilyn M MM Attar Gharamaleki Jafar J

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-)·H(2)O or (acrH)(+)(pydcH)(-)·H(2)O, is a monohydrate of acridinium cations and a mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid. The structure contains a range of non-covalent inter-actions, such as O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, as well as π-π stacking [range of centroid-centroid distances = 3.4783 (5)-3.8059 (5) Å]. The N-H⋯O hydrogen bond between the donor acridinium cation and the carboxyl-ate acceptor is particularly strong. T ...[more]

PMID: 21523086

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