Bendeif El-Eulmi, Dahaoui Slimane, Benali-Cherif Nourredine, Lecomte Claude
Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques LCM3B CNRS UMR 7036, Université Henri Poincaré, Nancy 1, Faculté des Sciences, Vandoeuvre-lès-Nancy Cedex, France.
Acta Crystallogr B. 2007 Jun;63(Pt 3):448-58. doi: 10.1107/S0108768107005332. Epub 2007 May 16.
The crystal structures of three similar guaninium salts, guaninium monohydrogenphosphite monohydrate, C(5)H(6)N(5)O(+).H(2)O(3)P(-).H(2)O, guaninium monohydrogenphosphite dihydrate, C(5)H(6)N(5)O(+).H(2)O(3)P(-).2H(2)O, and guaninium dihydrogenmonophosphate monohydrate, C(5)H(6)N(5)O(+).H(2)O(4)P(-).H(2)O, are described and compared. The crystal structures have been determined from accurate single-crystal X-ray data sets collected at 100 (2) K. The two phosphite salts are monoclinic, space group P2(1)/c, with different packing and the monophosphate salt is also monoclinic, space group P2(1)/n. An investigation of the hydrogen-bond network in these guaninium salts reveals the existence of two ketoamine tautomers, the N9H form and an N7H form.
描述并比较了三种类似鸟嘌呤盐的晶体结构,即一水合亚磷酸氢鸟嘌呤盐(C₅H₆N₅O⁺·H₂O₃P⁻·H₂O)、二水合亚磷酸氢鸟嘌呤盐(C₅H₆N₅O⁺·H₂O₃P⁻·2H₂O)和一水合磷酸二氢鸟嘌呤盐(C₅H₆N₅O⁺·H₂O₄P⁻·H₂O)。晶体结构是根据在100(2)K下收集的精确单晶X射线数据集确定的。两种亚磷酸盐盐为单斜晶系,空间群为P2(1)/c,具有不同的堆积方式,而磷酸盐盐也为单斜晶系,空间群为P2(1)/n。对这些鸟嘌呤盐中氢键网络的研究揭示了两种酮胺互变异构体的存在,即N9H形式和N7H形式。