| STRUCTURAL STUDIES OF trans-1,2 CYCLOHEXANEDIA-MINETETRAACETIC ACID HYDRATE]·C_(14)H_(22)N_2O_8·H_2O |
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| 摘 要： | <正> C14H22N2O8. H2O,Mr = 364. 4, monoclinic,P21/n,a =11.536(2),b= 10. 744(2),c=13. 271(3)A,B=99. 87(2) ,V=1620.5A3,Z=4,Do=1. 47,Dc= 1. 493gcm-3,F(000) = 776,u(MoKa) = 1. 17cm-1.The structure was solved by direct methods and refined to R=0. 059 for 2743 observed reflections with I>3 o(I).The molecule of trans-1,2-cyclohexanediaminetetraacetic acid exists in the crystal in a zwitte-rionic form -OOCCH2N+H(CH2COOH) C6H10N(CH2COOH)2. There is no intramolecular hydrogen bond,but intermolecular hydrogen bonds exist between water molecule and car-boxyl group as well as between the carboxyl groups.
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STRUCTURAL STUDIES OF trans-1,2 CYCLOHEXANEDIA-MINETETRAACETIC ACID HYDRATE]·C_(14)H_(22)N_2O_8·H_2O |
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| Abstract: | C14H22N2O8. H2O,Mr = 364. 4, monoclinic,P21/n,a =11.536(2),b= 10. 744(2),c=13. 271(3)A,B=99. 87(2) ,V=1620.5A3,Z=4,Do=1. 47,Dc= 1. 493gcm-3,F(000) = 776,u(MoKa) = 1. 17cm-1.The structure was solved by direct methods and refined to R=0. 059 for 2743 observed reflections with I>3 o(I).The molecule of trans-1,2-cyclohexanediaminetetraacetic acid exists in the crystal in a zwitte-rionic form -OOCCH2N+H(CH2COOH) C6H10N(CH2COOH)2. There is no intramolecular hydrogen bond,but intermolecular hydrogen bonds exist between water molecule and car-boxyl group as well as between the carboxyl groups. |
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