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

ABSTRACT: The title salt, C4H6N3O(+)·C4H3O4 (-)·C4H5N3O, 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 mol-ecules.

SUBMITTER: Fabry J

PROVIDER: S-EPMC4910327 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature

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

Fábry Jan J

Acta crystallographica. Section E, Crystallographic communications 20160315 Pt 4

The title salt, C4H6N3O(+)·C4H3O4 (-)·C4H5N3O, 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 agreemen ...[more]

PMID: 27375877

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