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Article ; Online: Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bipyridine

Eric Sylvester / Mitchell McGovern / An Young Lee / Phanxico Nguyen / Jungeun Park / Jason B. Benedict

Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 728-

2019  Volume 731

Abstract: In the title 1:2 co-crystal, C10H9N2+·(C6H7.75O6·C6H7.25O6)−, l-ascorbic acid (LAA) and 4,4′-bipyridine (BPy) co-crystallize in the chiral space group P21 with two molecules of LAA, and one molecule of bpy in the asymmetric unit. The structure was ... ...

Abstract In the title 1:2 co-crystal, C10H9N2+·(C6H7.75O6·C6H7.25O6)−, l-ascorbic acid (LAA) and 4,4′-bipyridine (BPy) co-crystallize in the chiral space group P21 with two molecules of LAA, and one molecule of bpy in the asymmetric unit. The structure was modeled in two parts due to possible proton transfer from LAA to the corresponding side of the bpy molecule having an occupancy of approximately 0.25 and part 2 with an occupancy of approximately 0.75. In this structure, LAA forms hydrogen bonds with neighboring LAA molecules, forming extended sheets of LAA molecules which are bridged by bpy molecules. A comparison to a related and previously published co-crystal of LAA and 3-bromo-4-pyridone is presented.
Keywords crystal structure ; co-crystal ; charge transfer ; L-ascorbic acid ; 4,4′-bipyridine ; Chemistry ; QD1-999
Language English
Publishing date 2019-06-01T00:00:00Z
Publisher International Union of Crystallography
Document type Article ; Online
Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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