Kai-Shuang Xiang

Jishou University, So-li, Hunan, China

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Publications (4)1.52 Total impact

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    ABSTRACT: The asymmetric unit of the title compound, C(17)H(16)O(4), contains two crystallographically independent mol-ecules with different absolute configurations.
    Acta Crystallographica Section E Structure Reports Online 02/2012; 68(Pt 2):o250. · 0.35 Impact Factor
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    ABSTRACT: Crystalline hydrate of the title compound (5), C19H26N2O5·2(H2O), 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) Å3, 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 78(36) and R 46(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. Graphical Abstract Two kinds of centrosymmetric tetramers characterized by graph-set motifs of R 78(36) and R 46(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.
    Journal of Chemical Crystallography 01/2012; 42(4). DOI:10.1007/s10870-011-0246-9 · 0.48 Impact Factor
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    ABSTRACT: In the title mol-ecule, C(10)H(7)ClO(3), the butyrolactone core, a furan-2(5H)-one, forms a dihedral angle of 59.21 (5)° with the benzene ring. In the crystal, two types of hydrogen bonds (O-H⋯O and C-H⋯Cl) link mol-ecules into infinite chains along the b axis. π-π contacts [centroid-centroid distances = 3.6359 (10) and 3.8776 (11) Å] link the chains into a three-dimensional network.
    Acta Crystallographica Section E Structure Reports Online 12/2011; 67(Pt 12):o3428. DOI:10.1107/S1600536811048641 · 0.35 Impact Factor
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    ABSTRACT: The title compound, C(16)H(12)ClNO(2), featuring a furan-2(5H)-one (γ-butyrolactone) core, contains two mol-ecules (A and B) in the asymmetric unit, with different dihedral angles between the central ring and the pendant phenyl and chloro-benzene rings [43.33 (8) and 20.16 (8)°, respectively, for A, and 47.79 (8) and 13.87 (8)°, respectively, for B]. In the crystal, the A mol-ecules are linked into [001] chains by single C-H⋯O inter-actions. The B mol-ecules also form [001] chains, but their relative orientations in the chains are quite different to those of the A mol-ecules so that adjacent B mol-ecules are linked by two C-H⋯O hydrogen bonds. Finally, C-H⋯O inter-actions and aromatic π-π stacking contacts [centroid-centroid separations = 3.754 (1) and 3.817 (1) Å] link the chains into a two-dimensional array parallel to (010).
    Acta Crystallographica Section E Structure Reports Online 11/2011; 67(Pt 11):o3091. DOI:10.1107/S1600536811044308 · 0.35 Impact Factor