10.1021/cg060894k.s002 Teresa F. Mastropietro Teresa F. Mastropietro Donatella Armentano Donatella Armentano Nadia Marino Nadia Marino Giovanni De Munno Giovanni De Munno Jane Anastassopoulou Jane Anastassopoulou Theophilos Theophanides Theophilos Theophanides Supramolecular Assemblies of Nucleobase Derivative 1-Mecyt with Mg(II) and Ni(II) and Solid-State Transformation of Ni(II) Phase:  A Comprehensive Evidence of Their Different Reactivity toward 1-Mecyt [1-Mecyt = 1-Methylcytosine] American Chemical Society 2007 Ni crystal structure metal centers Comprehensive Evidence Compounds 1 compound 2 Different Reactivity Supramolecular Assemblies hexaaquo ions Compound 3 Mecyt 1 week 2007-04-04 00:00:00 Dataset https://acs.figshare.com/articles/dataset/Supramolecular_Assemblies_of_Nucleobase_Derivative_1_Mecyt_with_Mg_II_and_Ni_II_and_Solid_State_Transformation_of_Ni_II_Phase_A_Comprehensive_Evidence_of_Their_Different_Reactivity_toward_1_Mecyt_1_Mecyt_1_Methylcytosine_/3014482 The synthesis and crystal structure of the compounds [Mg(H<sub>2</sub>O)<sub>6</sub>(1-Mecyt)<sub>2</sub>]Cl<sub>2</sub> (<b>1</b>), [Ni(H<sub>2</sub>O)<sub>6</sub>(1-Mecyt)<sub>2</sub>]Cl<sub>2</sub> (<b>2</b>), and [Ni(1-Mecyt)<sub>2</sub>Cl<sub>2</sub>] (<b>3</b>) (where 1-Mecyt = 1-Methylcytosine) are reported. Compounds <b>1</b> and <b>2</b> consist of hexaaquo ions, 1-Mecyt molecules, and chloride ions self-assembled through an extended network of hydrogen-bonding interactions. Compound <b>3</b> is made of [Ni(1-Mecyt)<sub>2</sub>Cl<sub>2</sub>] units, with the 1-Mecyt molecules directly coordinated to the metal centers through the N(3) and O(2) atoms. When crystals of compound <b>2</b> are allowed to stand in air for 1 week, a solid transformation occurs. The results of our investigation clearly suggest that a solid-state reaction takes place in <b>2</b>, leading to <b>3</b>.