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Preparation and Crystalline Structure of Dihydrate of hemi-(Diazonium-18-crown-6) Isocyanurate of Isocyanuric Acid

机译:异氰尿酸半-(重氮-18-皇冠-6)异氰尿酸酯二水合物的制备及晶体结构

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摘要

Crystalline dihydrate of hemi-(diazonium-18-crown-6) isocyanurate of isocyanuric acid,0.5[H_2DA18K6]~(2+).(C_3H_2N_3O_3)~- centre dot C_3H_3N_3O_3 centre dot 2H_2O,was prepared and investigated by X-ray crystallography.In the given structure the dication DA18K6 is center-symmetric and possesses crown conformation of approximate D_(3h) symmetry.Molecule of isocyanuric acid and its anion are nearly planer.This molecule possesses approximate D_(3h) symmetry and its anion possesses approximate C_(2v) symmetry.With sufficient precision were determined geometrical parameters (bond lengths,bond angles etc.) of ions and molecules and was determined their packing in the given crystalline structure in which there is developed system of inter-molecular (interion) hydrogen bonds.
机译:制备并通过X射线晶体学研究了异氰脲酸半氰基-(重氮-18-皇冠-6)异氰脲酸酯的结晶二水合物0.5 [H_2DA18K6]〜(2 +)。(C_3H_2N_3O_3)〜-中心点C_3H_3N_3O_3中心点2H_2O。在给定的结构中,配位化合物DA18K6是中心对称的,具有近似D_(3h)对称性的冠构象。异氰尿酸的分子及其阴离子接近平面,该分子具有近似D_(3h)对称性并且其阴离子具有近似C_ (2v)对称性。以足够的精度确定离子和分子的几何参数(键长,键角等),并确定它们在给定的晶体结构中的堆积,在该晶体结构中开发了分子间(离子)氢键体系。

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