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4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1)
The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (−)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyanopyridinium cation, one H(2)PO(4) (−) anion, one independent isonicotinonitrile molecule and one independent H(3)PO(4) molecule. The dihedral angle between the mean planes of the s...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379289/ https://www.ncbi.nlm.nih.gov/pubmed/22719487 http://dx.doi.org/10.1107/S1600536812020430 |
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author | Wang, Ying-Chun |
author_facet | Wang, Ying-Chun |
author_sort | Wang, Ying-Chun |
collection | PubMed |
description | The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (−)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyanopyridinium cation, one H(2)PO(4) (−) anion, one independent isonicotinonitrile molecule and one independent H(3)PO(4) molecule. The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°. In the crystal, N—H⋯O and O—H⋯N hydrogen bonds and weak C—H⋯O and C—H⋯N intermolecular interactions connect the organic molecules into a two-dimensional network parallel to the ac plane. O—H⋯O hydrogen-bonding interactions involving the H(2)PO(4) (−) anions and H(3)PO(4) molecules provide additional support from the inorganic groups Weak π–π stacking interactions between the pyridine rings of neighbouring organic molecules [centroid–centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network. |
format | Online Article Text |
id | pubmed-3379289 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33792892012-06-20 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) Wang, Ying-Chun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (−)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyanopyridinium cation, one H(2)PO(4) (−) anion, one independent isonicotinonitrile molecule and one independent H(3)PO(4) molecule. The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°. In the crystal, N—H⋯O and O—H⋯N hydrogen bonds and weak C—H⋯O and C—H⋯N intermolecular interactions connect the organic molecules into a two-dimensional network parallel to the ac plane. O—H⋯O hydrogen-bonding interactions involving the H(2)PO(4) (−) anions and H(3)PO(4) molecules provide additional support from the inorganic groups Weak π–π stacking interactions between the pyridine rings of neighbouring organic molecules [centroid–centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network. International Union of Crystallography 2012-05-12 /pmc/articles/PMC3379289/ /pubmed/22719487 http://dx.doi.org/10.1107/S1600536812020430 Text en © Ying-Chun Wang 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Wang, Ying-Chun 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title | 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title_full | 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title_fullStr | 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title_full_unstemmed | 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title_short | 4-Cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
title_sort | 4-cyanopyridinium dihydrogen phosphate–isonicotinonitrile–phosphoric acid (1/1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379289/ https://www.ncbi.nlm.nih.gov/pubmed/22719487 http://dx.doi.org/10.1107/S1600536812020430 |
work_keys_str_mv | AT wangyingchun 4cyanopyridiniumdihydrogenphosphateisonicotinonitrilephosphoricacid111 |