10.6084/m9.figshare.4542559.v2 Cristiane Batista Gonçalves Cristiane Batista Gonçalves Maria Vanda Marinho Maria Vanda Marinho Danielle Ferreira Dias Danielle Ferreira Dias Marcelo Henrique Dos Santos Marcelo Henrique Dos Santos Felipe Terra Martins Felipe Terra Martins Antônio Carlos Doriguetto Antônio Carlos Doriguetto Synthesis, characterization, and structural determination of copper(II) complexes with alkyl derivatives of hydroxybenzophenones Taylor & Francis Group 2017 Hydroxybenzophenone alkyl derivatives copper(II) complexes crystal structures XRD analysis 2017-01-29 11:38:52 Journal contribution https://tandf.figshare.com/articles/journal_contribution/Synthesis_characterization_and_structural_determination_of_copper_II_complexes_with_alkyl_derivatives_of_hydroxybenzophenones/4542559 <p>Four mononuclear copper(II) complexes, [Cu(LFQM-115)<sub>2</sub>] (<b>1</b>), [Cu(LFQM-116)<sub>2</sub>] (<b>2</b>), [Cu(LFQM-117)<sub>2</sub>] (<b>3</b>) and [Cu(octyloxy)<sub>2</sub>] (<b>4</b>) [LFQM-115 = 2-hydroxy-4-<i>O</i>-methylbenzophenone (C<sub>14</sub>H<sub>11</sub>O<sub>3</sub>), LFQM-116 = 2-hydroxy-4-<i>O</i>-butylbenzophenone (C<sub>17</sub>H<sub>18</sub>O<sub>3</sub>), LFQM-117 = 2-hydroxy-4-<i>O</i>-(33-dimethylallyl)benzophenone (C<sub>18</sub>H<sub>18</sub>O<sub>3</sub>) and octyloxy = 2-hydroxy-4-<i>O</i>-octylbenzophenone (C<sub>21</sub>H<sub>25</sub>O<sub>3</sub>)], have been prepared and investigated by infrared spectroscopy, thermal analysis, and powder and single crystal X-ray diffraction. Even though the synthesis and infrared analysis of <b>1</b>, <b>2</b>, and <b>4</b> have been reported previously, their crystal structures were elucidated for the first time here. In addition, the crystal structures of LFQM-116 and LFQM-117 were also determined by single crystal X-ray diffraction. The pseudo-translational symmetry found in LFQM-116 and the isomorphism between LFQM-115 and LFQM-117 are discussed. The complexes were prepared from a reaction of copper(II) nitrate trihydrate and the respective ligand in a (1:2) molar ratio in methanol (for <b>1</b> and <b>2</b>) or THF (for <b>3</b> and <b>4</b>) with addition of NaOH. Furthermore, crystallographic studies show that each copper(II) exhibits a square planar geometry, coordinated by four oxygens of two ligands. The nature and crystal packing of the intermolecular interactions are discussed. Compounds <b>2</b> and <b>3</b> are isomorphic crystals and all structures have the same supramolecular synthon.</p>