Peer-reviewedCC BYActa crystallographica. Section E, Crystallographic communications
Cooperative sp C-H⋯N and sp² C-H⋯N hydrogen bonding in the 1:1 cocrystal 1,2-bis-(pyrimidin-5-yl)ethyne-2,6-diethynyl-pyridine.
- 1Department of Chemistry and Biochemistry Missouri State University, 901 South National Avenue Springfield MO 65897 USA.
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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BibTeX
@article{bosch2026cooperative,
title = {{Cooperative sp C-H⋯N and sp² C-H⋯N hydrogen bonding in the 1:1 cocrystal 1,2-bis-(pyrimidin-5-yl)ethyne-2,6-diethynyl-pyridine.}},
author = {Eric Bosch},
journal = {Acta crystallographica. Section E, Crystallographic communications},
year = {2026},
month = oct,
doi = {10.1107/s2056989026011102},
url = {https://europepmc.org/article/MED/42997414},
note = {CC BY},
}
RIS
TY - JOUR
TI - Cooperative sp C-H⋯N and sp² C-H⋯N hydrogen bonding in the 1:1 cocrystal 1,2-bis-(pyrimidin-5-yl)ethyne-2,6-diethynyl-pyridine.
AU - Eric Bosch
PY - 2026
DA - 2026/10/30
JO - Acta crystallographica. Section E, Crystallographic communications
DO - 10.1107/s2056989026011102
UR - https://europepmc.org/article/MED/42997414
AB - 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.
SN - 2056-9890
ER -