Syntheses and Crystal Structures of [Na(H_2O)](C_(17)H_(13)O_6SO_3)·2H_2O and [Ni(H_2O)_6](C_(17)H_(

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Two hydrates of sodium 5,7-dihydroxy-6,4’-dimethoxyisoflavone-3’-sulfonate ([Na(H2O)](C17H13O6SO3)2H2O, 1) and nickel 5,7-dihydroxy-6,4’-dimethoxyisoflavone-3’-sulfonate ([Ni(H2O)6](C17H13O6SO3)24H2O, 2) were syn-thesized and characterized by IR, 1H NMR and X-ray diffraction analyses. The hydrate 1 crystallizes in the mono-clinic system, space group P2(1) with a=0.8201(9) nm, b=0.8030(8) nm, c=1.5361(16) nm, =102.052(12), V=0.9893(18) nm3, Dc=1.579 g/cm3, Z=2, =0.252 nm-1, F(000)=488, R=0.0353, wR=0.0873. The hydrate 2 belongs to triclinic system, space group P-1 with a=0.7411(3) nm, b=0.8333(3) nm, c=1.7448(7) nm, a=86.361(6), 撸?6.389(5), ?=88.999(3), V=1.0731(7) nm3, Dc=1.587 g/cm3, Z=1, =0.649 mm-1, F(000)=534. In the structure of 1, the sodium cation is coordinated by six oxygen atoms and two adjacent ones are bridged by three oxygen atoms to form an octahedron chain. The C—H…p hydrogen bonds exist between two isoflavone molecules in the structure of 2. Meanwhile, hydrogen bonds in two compounds, link themselves to assemble two three-dimensional network structures, respectively. Two hydrates of sodium 5,7-dihydroxy-6,4’-dimethoxyisoflavone-3’-sulfonate ([Na (H2O)] (C17H13O6SO3) 2H2O, 1) and nickel 5,7-dihydroxy-6,4’-dimethoxyisoflavone- 3) -sulfonate ([Ni (H2O) 6] (C17H13O6SO3) 24H2O, 2) were syn-the chemically and characterized by IR, 1H NMR and X-ray diffraction analyzes. The hydrate 1 crystallizes in the mono-clinic system, space group (1) with a = 0.8201 (9) nm, b = 0.8030 (8) nm, c = 1.5361 (16) nm, = 102.052 (12), V = 0.9893 (18) nm3 and Dc = 1.579 g / cm3. Z = 2, = 0.252 nm-1, F (000) = 488, R = 0.0353, wR = 0.0873. The hydrate 2 belongs to triclinic system, space group P- 1 with a = 0.7411 (3) nm, b = 0.8333 (3), c = 1.7448 (7) nm, a = 86.361 (6), 撸 6.389 (5), = = 88.999 (3), V = 1.0731 (7) nm3 and Dc = 1.587 g / cm3. = 1, = 0.649 mm-1, F (000) = 534. In the structure of 1, the sodium cation is coordinated by six oxygen atoms and two adjacent ones are bridged by three oxygen atoms to form an octahedron chain. The C- H ... p hydrogen bonds exist between two isoflavone molecules in the structure of 2. Meanwhile, hydrogen bo nds in two compounds, link themselves to assemble two three-dimensional network structures, respectively.
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