Citation: YIN Hong-Shan, YANG Gao-Shan, LIU Chong-Bo, HE An-Wang, ZHOU Yu-Bing, ZHANG Zhi-Peng, LI Huai-Meng. Crystal Structures and Antibacterial Activities of 1,3-Phenylenebis(oxy)diacetic Acid Dihydrate and 4,4'-Bipyridine Cocrystal[J]. Chinese Journal of Structural Chemistry, ;2015, 34(5): 650-658. doi: 10.14102/j.cnki.0254-5861.2011-0594 shu

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

1.
College of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063, China

Received Date: 5 December 2014
Available Online: 9 February 2015
Fund Project: Supported by the National Natural Science Foundation of China (No.21264011, 20961007) (No.21264011, 20961007)the Aviation Fund (No.2014ZF56020) (No.2014ZF56020)

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) Å, α=93.3650(10), β=105.3190(10), γ=97.2140(10)°, V=593.15(10) Å³, Z=2, M_r=262.21, D_c=1.468 g/cm³, F(000)=276, GOOF(000)=1.005, μ=0.129 mm^-1, the final R=0.0361 and wR=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) Å, α=74.191(4), β=77.953(2), γ=74.726(3)°, V=1374.5(3) Å³, Z=2, M_r=608.54, D_c=1.470 g/cm³, F(000)=636, GOOF(000)=1.061,μ=0.115 mm^-1, the final R=0.0500 and wR=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).
- 1,3-phenylenebis(oxy)diacetic acid,
- cocrystal,
- dihydrate,
- crystal structure,
- antibacterial activity
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