Two Polymorphs of the Inclusion Compound [(n-C4H9)4N] +(C13H9O3)-H2O |
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引用本文: | 杨云霞,李可,李奇.Two Polymorphs of the Inclusion Compound [(n-C4H9)4N] +(C13H9O3)-H2O[J].结构化学,2011,30(7):957-964. |
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作者姓名: | 杨云霞 李可 李奇 |
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作者单位: | Key Laboratory of Eco-environment-related Polymer Materials;Ministry of Education;College of Chemistry and Chemical Engineering;Northwest Normal University;College of Chemistry;Beijing Normal University; |
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摘 要: | Two polymorphs of the inclusion compound (n-C4H9)4N]+·(C13H9O3)-·H2O havebeen prepared and characterized by X-ray crystallography. Polymorph 1: triclinic P 1 , a =13.4982(2), b = 13.5743(2), c = 17.1996(2) , α = 67.045(1), β = 77.845(1), γ = 88.762(1)°, V =2830.43(7)3, Z = 4, R = 0.0491, wR = 0.1276; Polymorph 2: tetragonal P43, a = b = 13.53690(1) , c = 30.8491(8) , V = 5653.02(16)3, Z = 8, R = 0.0448, wR = 0.0984. In these two crystalstructures, the hydrogen-bonded ribbons built of 4,4 -dihydroxybenzophenone (DHBP, C13H10O3)anions and water molecules are orderly arranged to generate two-dimensional host layers, withtetrabutylammonium cations contained between the layers to form the sandwich-like inclusioncompounds. The structures of 1 and 2, which exist as two polymorphs, both display the similarpacking pattern and hydrogen-bond linking model.
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关 键 词: | 包合物 多晶型 水分子 二羟基二苯甲酮 X射线晶体学 晶体结构 三斜晶系 四丁基铵 |
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