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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:
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
Descripción
Sumario: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.