Citation:
HU Jin-Yan, SUN Hui-Min, GE Rong-Chen, YAN Ji-Tong, HUANG Wei-Wei. Supramolecular Network Obtained from the Interaction of Dihydrophosphate Anions and Thiourea-based Receptors[J]. Chinese Journal of Structural Chemistry,
;2016, 35(8): 1283-1288.
doi:
10.14102/j.cnki.0254-5861.2011-1083
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Two crystals of receptor 1, C42H52N10O4S2 (anthracene-9,10-dicarbaldehyde bis-(phenyl-semithiocarbazone)) and 1-H2PO4-, C68H114N10O10P2S2 were obtained at room temperature successfully, and their structures were characterized by X-ray crystallography diffraction. X-ray diffraction reveals that, receptor 1 crystallizes in monoclinic, space group P21/c, with a=9.487(3), b=20.674(6), c=11.821(4)Å, β=113.416(8)°, Mr=825.06, V=2127.5(12)Å3, Z=2, Dc=1.288 g/cm3, μ=0.18 mm-1, F(000)=876, MoKα radiation (λ=0.71073Å), the final R=0.0472 and wR=0.0930. A total of 3758 unique reflections were collected, of which 3313 with I>2σ(I) were observed. Compound 1-H2PO4- crystallizes in triclinic, space group P21/n, with a=8.767(1), b=13.6190(15), c=16.615(2)Å, α=98.727(14), β=103.061(14), γ=91.382(16)°, Mr=1357.75, V=1906.6 (4)Å3, Z=1, Dc=1.183 g/cm3, μ=0.17 mm-1, F(000)=734, MoKα radiation (λ=0.71073Å), the final R=0.0769 and wR=0.1884. A total of 6699 unique reflections were collected, of which 2989 with I>2σ(I) were observed. As it was observed in the crystal structure of 1-H2PO4-, 1 bound H2PO4- at a 1:2 ratio by intermolecular interaction of N-H…O hydrogen bond obviously. Another interesting feature was that H2PO4- groups assembled chains themselves via intramolecular hydrogen bond O-H…O and connected the 1 molecules together through the interaction of H-bonds, which improved the planarity of 1 and increased the stability of the entire structure.
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Keywords:
- supramolecular network,
- crystal structure,
- thiourea,
- hydrogen bond
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