Acta crystallographica. Section E, Crystallographic communications · ·Added 10 Nov 2026

Cooperative sp C-H⋯N and sp 2 C-H⋯N hydrogen bonding in the 1:1 cocrystal 1,2-bis-(pyrimidin-5-yl)ethyne-2,6-diethynyl-pyridine.

Eric Bosch

DOI ↗

Abstract

The title cocrystal C10H6N4·C9H5N, crystalizes in the monoclinic space group Pna21 with two mol-ecules of each component in the asymmetric unit. The extended structure features four unique sp-C-H⋯N inter-actions between components that form zigzag hydrogen-bonded chains along the a-axis direction. Complementary pyridine and pyrimidine C-H⋯N bonds along the b-axis direction result in the formation of planar two-dimensional sheets. A Hirshfeld surface analysis and calculation of inter-mol-ecular inter-action energies within the crystal structure are reported.

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