CRYSTAL STRUCTURE OF DISODIUM DIAZA-18-CROWN-6-N, N'-DIACETATE PENTAHYDRATE

<正> The title compound was prepared from the reaction of diaza-18-crown-6 and sodium chloroacetate in aqueous solution and crystallized from ethanol solution by standing for a long time. The complex Na(C16H28N2O8)·Na(H2O)5]2Cl-·2H2O+·H2O (Mr = 655. 45) crystalizes in triclinic system,space group P1 with a = 9. 623(2),b = 10. 902(3),c=15. 867(3) A ;α= 104. 63(2),β= 105. 42(2),γ=99. 88(2)°,V = 1502. 3A3,Dc=1. 09gcm-3,Z = 2,F(000) = 516,final R=0. 075 for 3218 observed reflections. The donor atoms O(4) ,O(7) ,O(13) ,O(16) ,N(1) and N(10) from the crown ether as well as the oxygen atoms O(21) and O(26) from two car boxy lato anions are coordinated cooperatively to the Na(1)+ ion to form crown ether solvated cation in a tetragonal prismatic geometry. The O(22) of one carboxylato anion, which does not coordinate the Na(1) + ion,interacts with the Na(2)+ion together with the oxygen atoms of five water molecules to form a hydrated cation having a deformed octahedral configuration.

CRYSTAL STRUCTURE OF DISODIUM DIAZA-18-CROWN-6-N,N'-DIACETATE PENTAHYDRATE

The title compound was prepared from the reaction of diaza-18-crown-6 and sodium chloroacetate in aqueous solution and crystallized from ethanol solution by standing for a long time. The complex Na(C16H28N2O8)·Na(H2O)5]2Cl-·2H2O+·H2O (Mr = 655. 45) crystalizes in triclinic system,space group P1 with a = 9. 623(2),b = 10. 902(3),c=15. 867(3) A ;α= 104. 63(2),β= 105. 42(2),γ=99. 88(2)°,V = 1502. 3A3,Dc=1. 09gcm-3,Z = 2,F(000) = 516,final R=0. 075 for 3218 observed reflections. The donor atoms O(4) ,O(7) ,O(13) ,O(16) ,N(1) and N(10) from the crown ether as well as the oxygen atoms O(21) and O(26) from two car boxy lato anions are coordinated cooperatively to the Na(1)+ ion to form crown ether solvated cation in a tetragonal prismatic geometry. The O(22) of one carboxylato anion, which does not coordinate the Na(1) + ion,interacts with the Na(2)+ion together with the oxygen atoms of five water molecules to form a hydrated cation having a deformed octahedral configuration.