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Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4'-bi-pyridine.

ABSTRACT: In the title 1:2 co-crystal, C₁₀H₉N₂ ⁺·(C₆H_7.75O₆·C₆H_7.25O₆)^-, l-ascorbic acid (LAA) and 4,4'-bi-pyridine (BPy) co-crystallize in the chiral space group P2₁ with two mol-ecules of LAA, and one mol-ecule 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 mol-ecule 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 mol-ecules, forming extended sheets of LAA mol-ecules which are bridged by bpy mol-ecules. A comparison to a related and previously published co-crystal of LAA and 3-bromo-4-pyridone is presented.

SUBMITTER: Sylvester E

PROVIDER: S-EPMC6658955 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4'-bi-pyridine.

Sylvester Eric E McGovern Mitchell M Young Lee An A Nguyen Phanxico P Park Jungeun J Benedict Jason B JB

Acta crystallographica. Section E, Crystallographic communications 20190503 Pt 6

In the title 1:2 co-crystal, C10H9N2 +·(C6H7.75O6·C6H7.25O6)-, l-ascorbic acid (LAA) and 4,4'-bi-pyridine (BPy) co-crystallize in the chiral space group P21 with two mol-ecules of LAA, and one mol-ecule 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 mol-ecule ...[more]

PMID: 31391954

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