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Crystal structures of bis-11-aminoundecanoic chlorocuprate and bis-11-aminoundecanoic-Cu(II) sulfate trihydrate
Authors:Y P Mascarenhas  I Vencato  L Tosi
Institution:(1) Instituto de Física e Química de São Carlos, Universidade de São Paulo, 13560 São Carlos, SP, Brazil;(2) Departamento de Fisíca, Universidade Federal de Santa Catarina, 88000 Florianópolis, SC, Brazil;(3) Departamento de Química, Universidade Federal de Minas Gerais, 30161 Belo Horizonte, MG, Brazil
Abstract:Bis-11-aminoundecanoic chlorocuprate: (I),M r =609.5, triclinic,P¯1 (No. 2),a=7.237(1),b=7.536(1),c=27.605(2) Å, agr=97.98(8),beta=92.45(8), gamma=90.02(8)°,V c =1492 Å3,Z=2,D x =1.357 g cm–3,D m =1.35(1) g cm–3 (flotation), mgr=43.85 cm–1, CuKagr radiation=1.5418 Å,F(000)=642,T=23 °C,R=0.065 for 4121 observed reflections. Bis-11-aminoun-decanoic sulfate Cu(II) trihydrate: (II),M r =616.4, triclinic,P¯1,a=7.745(2),b=9.553(4),c=20.343(5) Å, agr=80.91(3),beta=79.28(2), gamma=87.58(3)°,V c =1460 Å3,Z=2,D x =1.40(1) g cm–3,D m =1.38(2) g cm–3 (flotation),mgr=8.16 cm–1, MoKagr radiation=0.71069 Å,F(000)=658,T=23°C,R=0.064 for 3384 observed reflections. In (I) the two copper ions are in special positions 0, 0, 0 and 1/2, 1/2, 0 octahedrally coordinated to Cl. The CuCl 2 2– ions make square planes with the short bonds of mean values 2.289 and 2.295 Å. The carbonyls are hydrogen bonded, and the conformation of the amino acid chains ist for whole chain except at C(11) of chainA and Nprime of chainB where it isg. In (II) Cu2+ shows a very distorted octahedral coordination with a mean value of 1.959 Å for the short bonds Cu-O and 2.512 Å for the long bonds. TheB amino acid chain presents a similar conformation change at C(11) as in theA chain of complex (I).
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