Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)

organic compounds

mw2121 scheme

Acta Cryst. (2014). E70, o577-o578    [ doi:10.1107/S1600536814008496 ]

2-[2,6-Bis(pyrazin-2-yl)pyridin-4-yl]benzoic acid

Y. Shuai, X.-Y. Wang, J.-W. Dai and J.-Z. Wu

Abstract: In the title compound, C20H13N5O2, the two pyrazine rings are nearly coplanar with the central pyridine ring, forming dihedral angles of 2.21 (9) and 4.57 (9)°. In contrast, the strong steric hindrance caused by the ortho-carboxyl group on the phenyl ring makes this ring rotate out of the attached pyridine ring plane by 52.60 (9)°. The carboxyl group is twisted from the phenyl ring by 22.6 (1)°. In the crystal, aromatic [pi]-[pi] stacking inter­actions [centroid-centroid distances = 3.9186 (4) and 3.9794 (5) Å] occur between the anti­parallel mol­ecules, generating infinite chains along [100]. O-H...O hydrogen bonds connect the chains, leading to the formation of a two-dimensional supra­molecular network parallel to (010). Inter­molecular C-H...N hydrogen bonds are also observed.

CCDC reference: 997338

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