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Xiao Z.-P.,Key Laboratory of Ecotourisms Application Technology | Yi L.-C.,Key Laboratory of Ecotourisms Application Technology | Yi T.-F.,Key Laboratory of Ecotourisms Application Technology | Xiang K.-S.,Key Laboratory of Ecotourisms Application Technology | And 3 more authors.
Journal of Chemical Crystallography

Crystalline hydrate of the title compound (5), C 19H 26N 2O 5·2(H 2O), was structurally characterized by single crystal X-ray diffraction. It crystallizes in monoclinic system space group P 21/c with a = 7.3987(7) Å, b = 17.8691(16) Å, c = 17.0022(13) Å, β = 112.944(3)°, V = 2070.0(3) Å 3, Z = 4, R 1 = 0.0592, wR 2 = 0.1016, and T = 298(2) K. The X-ray structure determination revealed that the center furanone ring is nearly coplanar with 3,4-dimethoxybenzene ring, making a dihedral angle of 0.860(69)°. Two kinds of centrosymmetric tetramers characterized by graph-set motifs of R 7 8(36) and R 4 6(32) are formed through O-H...O, O-H...N and C-H...O hydrogen bonding interactions, which generate a sheet of edge-fused rings parallel to the (011) plane. These sheets are further linked into a three dimensional network by C-H...π interactions. Nine 3-(3,4-dimethoxyphenyl) furan-2(5H)-ones were synthesized and fully characterized by elemental analysis, MS and 1H NMR. All of them were evaluated for antimicrobial activities against three Gram-positive organisms and a Gram-negative organism, and compound 5 was the most active against Staphylococcus aureus ATCC 25923. © Springer Science+Business Media, LLC 2011. Source

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