Title of article :
Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
Author/Authors :
Fabry, Jan Inst. of Physics of the Czech Academy of Sciences - Czech Republic
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 molecules.
Keywords :
Cambridge Structural Database , crystal structure , refinement restraints , refinement constraints , hydrogen bonding , redetermination
Journal title :
Acta Crystallographica Section E: Crystallographic Communications