Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data

The title salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (−)·C(4)H(5)N(3)O, has been redetermined from the data published by Benali-Cherif, Falek & Direm [Acta Cryst. (2009), E65, o3058–o3059]. The improvement of the present redetermination consists in the discovery of the splitting of one of the H atoms i...

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Detalles Bibliográficos
Autor principal: Fábry, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910327/
https://www.ncbi.nlm.nih.gov/pubmed/27375877
http://dx.doi.org/10.1107/S2056989016003923
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author Fábry, Jan
author_facet Fábry, Jan
author_sort Fábry, Jan
collection PubMed
description The title salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (−)·C(4)H(5)N(3)O, has been redetermined from the data published by Benali-Cherif, Falek & Direm [Acta Cryst. (2009), E65, o3058–o3059]. The improvement of the present redetermination consists in the discovery of the splitting of one of the H atoms into two disordered positions, the occupancies of which are equal to 0.55 (2) and 0.45 (2). These H atoms are involved in an N⋯N hydrogen bond and are shifted towards its centre. The disorder of these H atoms is in agreement with a similar environment of the two independent, but chemically equivalent, cytosinium/cytosine mol­ecules.
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spelling pubmed-49103272016-07-01 Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data Fábry, Jan Acta Crystallogr E Crystallogr Commun Research Communications The title salt, C(4)H(6)N(3)O(+)·C(4)H(3)O(4) (−)·C(4)H(5)N(3)O, has been redetermined from the data published by Benali-Cherif, Falek & Direm [Acta Cryst. (2009), E65, o3058–o3059]. The improvement of the present redetermination consists in the discovery of the splitting of one of the H atoms into two disordered positions, the occupancies of which are equal to 0.55 (2) and 0.45 (2). These H atoms are involved in an N⋯N hydrogen bond and are shifted towards its centre. The disorder of these H atoms is in agreement with a similar environment of the two independent, but chemically equivalent, cytosinium/cytosine mol­ecules. International Union of Crystallography 2016-03-15 /pmc/articles/PMC4910327/ /pubmed/27375877 http://dx.doi.org/10.1107/S2056989016003923 Text en © Jan Fábry 2016 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 Research Communications
Fábry, Jan
Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title_full Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title_fullStr Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title_full_unstemmed Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title_short Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
title_sort redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910327/
https://www.ncbi.nlm.nih.gov/pubmed/27375877
http://dx.doi.org/10.1107/S2056989016003923
work_keys_str_mv AT fabryjan redeterminationofcytosiniumhydrogenmaleatecytosine11fromtheoriginaldata

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