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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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Autor principal: Wang, Ying-Chun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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.
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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