论文部分内容阅读
Two crystals of receptor 1, C_(42)H_(52)N_(10)O_4S_2(anthracene-9,10-dicarbaldehyde bis-(phenyl-semithiocarbazone)) and-1-H_2PO_4, C_(68)H_(114)N_(10)O_(10)P_2S_2 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) ?, β = 113.416(8)o, Mr = 825.06, V = 2127.5(12) ?~3, Z = 2, Dc = 1.288g/cm3, μ = 0.18 mm-1, F(000) = 876, MoK α radiation(λ = 0.71073 ?), 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-H_2PO_4~-crystallizes in triclinic, space group P21/n, with a = 8.767(1), b =13.6190(15), c = 16.615(2) ?, α = 98.727(14), β = 103.061(14), γ = 91.382(16)°, Mr = 1357.75, V =1906.6(4) ?~3, Z = 1, Dc = 1.183 g/cm~3, μ = 0.17 mm~(-1), F(000) = 734, MoK α radiation(λ = 0.71073?), 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-H_2PO_4~-, 1bound H_2PO_4~-at a 1:2 ratio by intermolecular interaction of N-H···O hydrogen bond obviously.Another interesting feature was that H_2PO_4~-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.
Two crystals of receptor 1, C_ (42) H_ (52) N_ (10) O_4S_2 (anthracene-9,10- dicarbaldehyde bis- (phenyl-semithiocarbazone) and-1_H_2PO_4, C_ (68) H_ (10) O_ (10) P_2S_2 were obtained at room temperature successfully, and their structures were characterized by X-ray crystallography. X-ray diffraction reveals that, receptor 1 crystallizes in monoclinic, space group P21 / c, with a = 9.487 B = 20.674 (6), c = 11.821 (4) ?, β = 113.416 (8) o, Mr = 825.06, V = 2127.5 (12)? 3, Z = 2 and Dc = 1.288 g / A total of 3758 unique reflections were collected, of which 3313 with I (μ = 0.18 mm -1, F (000) = 876, MoK α radiation (λ = 0.71073?), final R = 0.0472 and wR = > 2σ (I) were observed. Compound 1-H 2 PO 4 -crystallizes in triclinic space group P21 / n with a = 8.767 (1), b = 13.6190 (15), c = 16.615 (14), β = 103.061 (14), γ = 91.382 (16) °, Mr = 1357.75, V = 1906.6 (4) Å ~ 3, Z = 1, Dc = 1.183 g / cm ~ 3, μ = 0.17 mm ~ (-1), F (000) = 734, MoK α radiation (λ = 0.71073?), Th e 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-H_2PO_4 ~ -, 1bound H_2PO_4 ~ -at a 1: 2 ratio by intermolecular interaction of NH ··· O hydrogen bond obviously. Another interesting feature was that H_2PO_4 ~ -groups assembled chains via viamolecular hydrogen bond OH ··· 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.