Khorasani Sanaz, Fernandes Manuel A
Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2807. doi: 10.1107/S1600536812036501. Epub 2012 Aug 31.
The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4-)·C(10)H(4)O(8) (2-)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl-ammonium cations, two water mol-ecules, half a 2,5-dicarb-oxy-benzene-1,4-carboxyl-ate dianion (H(2)btc(2-)) and half a benzene-1,2,4,5-tetra-carboxyl-ate tetra-anion (btc(4-)), the latter two anions being located about centres of inversion. One of the water mol-ecules is disordered over two positions in a 0.55 (2):0.45 (2) ratio. The combination of mol-ecular ions and water mol-ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N-H⋯O inter-actions between the ammonium cations and the anions, as well as four unique O-H⋯O inter-actions between the water mol-ecules and the anions.
标题有机盐6C₃H₁₀N⁺·C₁₀H₂O₈⁴⁻·C₁₀H₄O₈²⁻·4H₂O的不对称单元中包含七个独立实体，其中有三个丙基铵阳离子、两个水分子、半个2,5 - 二羧基苯 - 1,4 - 羧酸盐二价阴离子（H₂btc²⁻）和半个苯 - 1,2,4,5 - 四羧酸盐四价阴离子（btc⁴⁻），后两种阴离子位于对称中心周围。其中一个水分子在两个位置上无序分布，比例为0.55(2):0.45(2)。分子离子和水分子的组合形成了一个广泛而复杂的三维氢键网络，该网络由铵阳离子与阴离子之间的九个独特的N - H⋯O相互作用以及水分子与阴离子之间的四个独特的O - H⋯O相互作用组成。
