Abstract

Chemical preparation, X-ray diffraction data collection on a single crystal and IR spectroscopy studies of the monophosphate (C₇H₄NH₃OOH)H₂PO₄, meta-carboxyphenyl ammonium dihydrogenophosphate crystal (m-CPAMP) were developped at room temperature. The title compound crystallizes in the monoclinic system, with the centrosymmetric space group P2₁/c (Z = 4). Its unit-cell dimensions are a = 12.9361 (7) (Å), b = 11.7735 (6) (Å), c = 6.5764 (4) (Å), β = 102.668 (2)° and V = 977.22 (9) ų. The structure determined gives a clear description of the hydrogen bonds connecting the hydrogen phosphate H₂PO₄- with the organic matrix. In the structure of this compound, each (H₂PO₄)⁻ aggregates with cation through hydrogen-bond interactions of O-H----O(P) and N-H····O(P) types, and with another (H₂PO₄)⁻ via hydrogen bonding O1-H····O3, forming symmetrical (H₄P₂O8)²⁻ anionic units.The Infrared spectrum of (C₇H₄NH₃OOH)H₂PO₄ compound is studied in comparison to that of the cation C₇H₄NH₃OOH considered in its free symmetry.

摘要

化学制备、单晶 X 射线衍射数据收集和单磷酸盐 (C ₇ H ₄ NH ₃ OOH)H ₂ PO ₄、间羧苯基二氢磷酸铵晶体 (m-CPAMP) 的红外光谱研究在室温下开发. 标题化合物在单斜晶系中结晶，具有中心对称空间群 P2 ₁ /c ( Z  = 4)。其晶胞尺寸为a  = 12.9361 (7) (Å)、b  = 11.7735 (6) (Å)、c  = 6.5764 (4) (Å)、β  = 102.668 (2)° 和V  = 977.22 (9) Å ³. 确定的结构清楚地描述了连接磷酸氢 H ₂ PO ₄ - 与有机基质的氢键。在该化合物的结构中，每个 (H ₂ PO ₄ ) ⁻通过 OH----O(P) 和 NH····O(P) 类型的氢键相互作用与阳离子聚集，并与另一个 (H ₂ PO ₄ ) ^-通过氢键O1-H····O3，形成对称的(H ₄ P ₂ O8) ^{2 -}阴离子单元。(C ₇ H ₄ NH ₃ OOH)H ₂ PO的红外光谱₄化合物与阳离子 C ₇ H ₄ NH ₃ OOH 的自由对称性进行比较研究。