Seidel Rüdiger W, Kolev Tsonko M
Institut für Pharmazie, Martin-Luther-Universität Halle-Wittenberg, Wolfgang-Langenbeck-Str. 4, 06120 Halle (Saale), Germany.
Institute of Molecular Biology "Roumen Tsanev", Bulgarian Academy of Sciences, Acad. G. Bonchev-Str. Bl. 21, Sofia 1113, Bulgaria.
Acta Crystallogr E Crystallogr Commun. 2024 Aug 30;80(Pt 9):973-975. doi: 10.1107/S2056989024008235. eCollection 2024 Sep 1.
Propane-1,3-diaminium squarate dihydrate, CHN ·CO ·2HO, results from the proton-transfer reaction of propane-1,3-di-amine with squaric acid and subsequent crystallization from aqueous medium. The title compound crystallizes in the tetra-gonal crystal system (space group 4) with = 2. The squarate dianion belongs to the point group and contains a crystallographic fourfold axis. The propane-1,3-diaminium dication exhibits a -symmetric all- conformation and resides on a special position with 2 site symmetry. The orientation of the propane-1,3-diaminium ions makes the crystal structure polar in the axis direction. The solid-state supra-molecular structure features a triperiodic network of strong hydrogen bonds of the N-H⋯O and O-H⋯O types.
丙二胺二水合方酸丙二铵（CHN·CO·2HO）由1,3 - 丙二胺与方酸发生质子转移反应，随后从水介质中结晶得到。标题化合物结晶于四方晶系（空间群4）， = 2。方酸二价阴离子属于点群 且包含一个晶体学四重轴。丙二胺二价阳离子呈现 -对称的全构象，并位于具有2位点对称性的特殊位置。丙二胺离子的取向使晶体结构在轴向上具有极性。固态超分子结构具有由N - H⋯O和O - H⋯O类型的强氢键构成的三周期网络。
