The crystal structure of polymeric magnesium bis(p-nitrophenolate) dihydrate: [Mg(O2NC6H4O)2(OH2)2]

Abstract

<jats:title>Abstract</jats:title> <jats:p>The crystal and molecular structure of polymeric magnesium <jats:italic>bis</jats:italic>(<jats:italic>p</jats:italic>-nitrophenolate) dihydrate, [Mg(O<jats:sub>2</jats:sub>NC<jats:sub>6</jats:sub>H<jats:sub>4</jats:sub>O)<jats:sub>2</jats:sub>(OH<jats:sub>2</jats:sub>)<jats:sub>2</jats:sub>]<jats:sub>∞</jats:sub>, C<jats:sub>12</jats:sub>H<jats:sub>12</jats:sub>MgN<jats:sub>2</jats:sub>O<jats:sub>8</jats:sub>, has been determined at room temperature. The orange crystals are monoclinic, space group <jats:italic>C</jats:italic>2 with unit cell dimensions <jats:italic>a</jats:italic> = 21.183(2) Å, <jats:italic>b</jats:italic> = 3.667(4) Å, <jats:italic>c</jats:italic> = 10.357(2) Å, <jats:italic>β</jats:italic> = 117.227(7)°, <jats:italic>Z</jats:italic> = 2 and <jats:italic>D</jats:italic> <jats:sub>x</jats:sub> = 1.562 Mg m<jats:sup>−3</jats:sup>. The structure was solved by direct methods and refined by a full-matrix least-squares procedure on <jats:italic>F</jats:italic> <jats:sup>2</jats:sup> to final <jats:italic>R</jats:italic> = 0.062 using 960 reflections. The Mg<jats:sup>2+</jats:sup> cation (which lies on a two-fold axis) exists in a slightly distorted octahedral geometry with the basal plane being defined by four water molecules and the axial positions by two oxygen donor atoms derived from two symmetry related NO<jats:sub>2</jats:sub> groups. Each pair of coordinated water molecules links a neighbouring Mg<jats:sup>2+</jats:sup> centre leading to the formation of columns of edge-shared octahedra. These columns are linked via hydrogen bonding contacts involving the non-coordinating oxygen atoms of the <jats:italic>p</jats:italic>-nitrophenoxide and the Mg…OH<jats:sub>2</jats:sub> groups.</jats:p>