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丙二胺二水合方酸盐的晶体结构

Crystal structure of propane-1,3-diaminium squarate dihydrate.

作者信息

Seidel Rüdiger W, Kolev Tsonko M

机构信息

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.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Aug 30;80(Pt 9):973-975. doi: 10.1107/S2056989024008235. eCollection 2024 Sep 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9dfb/11389676/75a966cfcebe/e-80-00973-fig1.jpg

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