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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data
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Redetermination of cytosinium hydrogen maleate–cytosine (1/1) from the original data

机译:从原始数据重新确定马来酸氢胞嘧啶-胞嘧啶(1/1)

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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.
机译:标题盐C4H6N3O +·C4H3O4→C4H5N3O已从Benali-Cherif,Falek&Direm [Acta Cryst。 (2009),E65,o3058–o3059]。本发明重新确定的改进在于发现了一个氢原子分裂为两个无序位置,它们的占有率等于0.55π(2)和0.45π(2)。这些氢原子参与一个N→N氢键并向其中心移动。这些H原子的无序与两个独立但化学上等同的胞嘧啶/胞嘧啶分子的相似环境一致。

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