Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts.
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.
Bendeif
El-Eulmi
el-E
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.
Dahaoui
Slimane
S
Benali-Cherif
Nourredine
N
Lecomte
Claude
C
D018360:Crystallography, X-Ray; D006147:Guanine / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D007536:Isomerism; D008956:Models, Chemical; D015394:Molecular Structure; D010710:Phosphates / Q000737:chemistry; D017905:Phosphites / Q000737:chemistry
D010710:Phosphates; D017905:Phosphites; D006147:Guanine