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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 | 2010 Aug

REPOSITORIES: biostudies-literature

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

Attar Gharamaleki Jafar J Derikvand Zohreh Z Stoeckli-Evans Helen H

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

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-membe ...[more]

PMID: 21588601

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