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

In the title 1:2 co-crystal, C(10)H(9)N(2) (+)·(C(6)H(7.75)O(6)·C(6)H(7.25)O(6))(−), l-ascorbic acid (LAA) and 4,4′-bi­pyridine (BPy) co-crystallize in the chiral space group P2(1) with two mol­ecules of LAA, and one mol­ecule of bpy in the asymmetric unit. The structure was modeled in two parts due...

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Autores principales: Sylvester, Eric, McGovern, Mitchell, Young Lee, An, Nguyen, Phanxico, Park, Jungeun, Benedict, Jason B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658955/
https://www.ncbi.nlm.nih.gov/pubmed/31391954
http://dx.doi.org/10.1107/S2056989019005334
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author Sylvester, Eric
McGovern, Mitchell
Young Lee, An
Nguyen, Phanxico
Park, Jungeun
Benedict, Jason B.
author_facet Sylvester, Eric
McGovern, Mitchell
Young Lee, An
Nguyen, Phanxico
Park, Jungeun
Benedict, Jason B.
author_sort Sylvester, Eric
collection PubMed
description In the title 1:2 co-crystal, C(10)H(9)N(2) (+)·(C(6)H(7.75)O(6)·C(6)H(7.25)O(6))(−), l-ascorbic acid (LAA) and 4,4′-bi­pyridine (BPy) co-crystallize in the chiral space group P2(1) 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.
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spelling pubmed-66589552019-08-07 Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine Sylvester, Eric McGovern, Mitchell Young Lee, An Nguyen, Phanxico Park, Jungeun Benedict, Jason B. Acta Crystallogr E Crystallogr Commun Research Communications In the title 1:2 co-crystal, C(10)H(9)N(2) (+)·(C(6)H(7.75)O(6)·C(6)H(7.25)O(6))(−), l-ascorbic acid (LAA) and 4,4′-bi­pyridine (BPy) co-crystallize in the chiral space group P2(1) 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. International Union of Crystallography 2019-05-03 /pmc/articles/PMC6658955/ /pubmed/31391954 http://dx.doi.org/10.1107/S2056989019005334 Text en © Sylvester et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Sylvester, Eric
McGovern, Mitchell
Young Lee, An
Nguyen, Phanxico
Park, Jungeun
Benedict, Jason B.
Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title_full Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title_fullStr Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title_full_unstemmed Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title_short Partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
title_sort partial charge transfer in the salt co-crystal of l-ascorbic acid and 4,4′-bi­pyridine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658955/
https://www.ncbi.nlm.nih.gov/pubmed/31391954
http://dx.doi.org/10.1107/S2056989019005334
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