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Acridinium 3-carb-oxy-pyrazine-2-carboxyl-ate.

ABSTRACT: The title ion pair, C(13)H(10)N(+)·C(6)H(3)N(2)O(4) (-), contains a protonated acridine cation and a 3-carb-oxy-pyrazine-2-carboxyl-ate monoanion, which are linked together through O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds. These hydrogen bonds generate a C(10) chain graph-set motif. The crystal structure is further stabilized by extensive π-π stacking inter-actions between nearly parallel [dihedral angle = 1.21(2)°] acridine systems. The shortest distance between the centroids of the six-membered rings within the cations is 3.6315 (8) Å. In addition, C-H⋯π edge-to-face inter-actions are present.

SUBMITTER: Attar Gharamaleki J

PROVIDER: S-EPMC3008091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

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