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Crystal Structures and Antibacterial Activities of 1,3-Phenylenebis(oxy)diacetic Acid Dihydrate and 4,4'-Bipyridine Cocrystal

Crystal Structures and Antibacterial Activities of 1,3-Phenylenebis(oxy)diacetic Acid Dihydrate and 4,4'-Bipyridine Cocrystal
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摘要 Single crystals of two 1,3-phenylenebis(oxy)diacetic acid(C10H10O8) compounds 1 and 2 were obtained via slow evaporation.The compounds were characterized by elemental analysis,IR and single-crystal X-ray diffraction.Compound 1(C10H14O8) crystallizes in the triclinic system,space group P1 with a = 6.3751(6),b = 8.5311(8),c = 11.4510(11)A,α = 93.3650(10),β = 105.3190(10),γ = 97.2140(10)°,V = 593.15(10) A^3,Z = 2,Mr = 262.21,Dc = 1.468 g/cm^3,F(000) = 276,GOOF = 1.005,° = 0.129 mm^-1,the final R = 0.0361 and w R = 0.0802 for 1854 observed reflections with I 〉 2σ(I).Compound 2(C30H28N2O12) crystallizes in the triclinic system,space group P1 with a = 9.7416(13),b = 11.839(2),c = 12.9828(13) A,α = 74.191(4),β = 77.953(2),γ = 74.726(3)°,V = 1374.5(3) A^3,Z = 2,Mr = 608.54,Dc = 1.470 g/cm^3,F(000) = 636,GOOF = 1.061,° = 0.115 mm^-1,the final R = 0.0500 and w R = 0.1221 for 3966 observed reflections with I 〉 2σ(I).Both compounds 1 and 2 exhibit 3D supramolecular structures under hydrogen bonding interactions.The results of preliminary antibacterial activity show that the title compounds display moderate antibacterial activities against the tested gram positive bacteria(S.aureus,C.albicans and B.subtilis) and gram negative bacteria(E.coli and P.aeruginosa). Single crystals of two 1,3-phenylenebis(oxy)diacetic acid(C10H10O8) compounds 1 and 2 were obtained via slow evaporation.The compounds were characterized by elemental analysis,IR and single-crystal X-ray diffraction.Compound 1(C10H14O8) crystallizes in the triclinic system,space group P1 with a = 6.3751(6),b = 8.5311(8),c = 11.4510(11)A,α = 93.3650(10),β = 105.3190(10),γ = 97.2140(10)°,V = 593.15(10) A^3,Z = 2,Mr = 262.21,Dc = 1.468 g/cm^3,F(000) = 276,GOOF = 1.005,° = 0.129 mm^-1,the final R = 0.0361 and w R = 0.0802 for 1854 observed reflections with I 〉 2σ(I).Compound 2(C30H28N2O12) crystallizes in the triclinic system,space group P1 with a = 9.7416(13),b = 11.839(2),c = 12.9828(13) A,α = 74.191(4),β = 77.953(2),γ = 74.726(3)°,V = 1374.5(3) A^3,Z = 2,Mr = 608.54,Dc = 1.470 g/cm^3,F(000) = 636,GOOF = 1.061,° = 0.115 mm^-1,the final R = 0.0500 and w R = 0.1221 for 3966 observed reflections with I 〉 2σ(I).Both compounds 1 and 2 exhibit 3D supramolecular structures under hydrogen bonding interactions.The results of preliminary antibacterial activity show that the title compounds display moderate antibacterial activities against the tested gram positive bacteria(S.aureus,C.albicans and B.subtilis) and gram negative bacteria(E.coli and P.aeruginosa).
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第5期650-658,共9页 结构化学(英文)
基金 Supported by the National Natural Science Foundation of China(No.21264011,20961007) the Aviation Fund(No.2014ZF56020)
关键词 1 3-phenylenebis(oxy)diacetic acid COCRYSTAL DIHYDRATE crystal structure antibacterial activity 1,3-phenylenebis(oxy)diacetic acid,cocrystal,dihydrate,crystal structure,antibacterial activity
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