The title compound 2-（5-（4-chlorophenyl）-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl）- pyridine（C20H16ClN3, Mr = 333.81） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction...The title compound 2-（5-（4-chlorophenyl）-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl）- pyridine（C20H16ClN3, Mr = 333.81） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 10.9925（12）, b = 11.0378（12）, c = 14.2751（18） , β = 98.074（11）°, V = 1714.9（3）3, Z = 4, Dc = 1.293 g/cm3, μ（MoKα） = 0.228 mm-1, F（000） = 696, the final R = 0.0521 and wR = 0.1349 for 3495 observed reflections with I 〉 2σ（I）. Intermolecular C–H...π interactions and π-π stacking interactions stabilize the crystal structure. The binding study by fluorescence spectroscope titration showed that the title compound can selectively recognize Fe3＋ in THF solution with fluorescence quenching.展开更多
A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 1...A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 17.197（3）A, β = 105.222（2）°, V = 2433.9（6） A^3, Z = 4, F（000） = 1008, Dc = 1.311 Mg/m^3, Mr = 480.57, μ = 0.166 mm^-1, the final R = 0.0509 and wR = 0.1481 for 6643 observed reflections with I 〉 2σ（I）. The crystal structure of compound 1 is stabilized by C–H…O, N–H…N, N–H…O, O–H…N and C–H…N hydrogen bonds. The spectroscopic studies of the title compound toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Cu^2＋ with fluorescence quenching.展开更多
A new naphthol-based compound 1, C22 H22 N2 O2, has been designed and synthesized. The structure of the title compound 1 was confirmed by IR, 1 H NMR, 13 C NMR, H RMS, and X-ray single-crystal diffraction. The crystal...A new naphthol-based compound 1, C22 H22 N2 O2, has been designed and synthesized. The structure of the title compound 1 was confirmed by IR, 1 H NMR, 13 C NMR, H RMS, and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c, with a = 12.888（9）, b = 15.543（10）, c = 9.119（6） ？, β = 94.05（3）°, V = 1822（2） ？3, Z = 4, Dc = 1.263 g/cm3, Mr = 346.41, μ = 0.081 mm-1, F（000） = 736.0, the final R = 0.0452 and wR = 0.1142 for 3404 observed reflections with（I 〉 2σ（I））. The crystal structure of 1 is stabilized by O–H···N, N–H···O, C–H···O hydrogen bonds and π-π interactions. The spectroscopic studies of 1 toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Zn2＋ with fluorescence enhancement.展开更多
A flexible urea-functionalized receptor bearing two p-nitrobenzene units was designed and synthesized from the reaction of precursors 4-nitrophenyl isocyanate and 1,2-bis(2?-aminophenoxy) benzene. The receptor was cha...A flexible urea-functionalized receptor bearing two p-nitrobenzene units was designed and synthesized from the reaction of precursors 4-nitrophenyl isocyanate and 1,2-bis(2?-aminophenoxy) benzene. The receptor was characterized by 1H NMR, MS, FTIR and elemental analysis, and the crystal structure of the receptor was determined by X-ray diffraction analysis. The crystal belongs to the orthorhombic system, space group Pca21 with a = 12.740(2), b =14.133(3), c = 15.842(3)A, V = 2852.4(9) A3, Z = 4, Mr = 620.57, Dc = 1.445 g/cm3, F(000)= 1288,= 0.0585 and wR = 0.1032 for 3177 observed reflections(Ⅰ> 2σ(Ⅰ)), and R = 0.1304 and wR =for all data. The results show that the receptor displays selective recognition ability for H2PO4– in DMSO with a series of anions using UV-Vis absorption spectra technique. Furthermore, the coordination reaction of the receptor with H2PO4– was investigated via UV-Vis spectra and 1 H NMR.The stoichiometric ratio and the association constant(Ka) of the coordination reaction were obtained as well.展开更多
基金supported by the Hubei Province Education Ministry Foundation of China(No.D20112507)the Science Technology Foundation for Creative Research Group of HBDE(No.T201311)
文摘The title compound 2-（5-（4-chlorophenyl）-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl）- pyridine（C20H16ClN3, Mr = 333.81） has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/n with a = 10.9925（12）, b = 11.0378（12）, c = 14.2751（18） , β = 98.074（11）°, V = 1714.9（3）3, Z = 4, Dc = 1.293 g/cm3, μ（MoKα） = 0.228 mm-1, F（000） = 696, the final R = 0.0521 and wR = 0.1349 for 3495 observed reflections with I 〉 2σ（I）. Intermolecular C–H...π interactions and π-π stacking interactions stabilize the crystal structure. The binding study by fluorescence spectroscope titration showed that the title compound can selectively recognize Fe3＋ in THF solution with fluorescence quenching.
基金financially supported by the National Natural Science Foundation of China(21603069)College Students’ Science and Technology Innovation Project of Hubei Polytechnic University(No.14cx16)Young College Teachers’ Entering into Enterprises Program of Hubei Provincial Department of Education(No.XD2014677)
文摘A benzothiazole-based compound 1, C28H24N4O2S, has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 9.6309（14）, b = 15.230（2）, c = 17.197（3）A, β = 105.222（2）°, V = 2433.9（6） A^3, Z = 4, F（000） = 1008, Dc = 1.311 Mg/m^3, Mr = 480.57, μ = 0.166 mm^-1, the final R = 0.0509 and wR = 0.1481 for 6643 observed reflections with I 〉 2σ（I）. The crystal structure of compound 1 is stabilized by C–H…O, N–H…N, N–H…O, O–H…N and C–H…N hydrogen bonds. The spectroscopic studies of the title compound toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Cu^2＋ with fluorescence quenching.
基金supported by the National Natural Science Foundation of China(No.21271035)the Natural Science Foundation of Anhui Province(No.KJ2016A512)+1 种基金Key projects of Anhui Province University Outstanding Youth Talent Support Program(No.gxyqZD2016372)the Natural Science Foundation of Chizhou University(No.2017ZRZ002)
文摘A new naphthol-based compound 1, C22 H22 N2 O2, has been designed and synthesized. The structure of the title compound 1 was confirmed by IR, 1 H NMR, 13 C NMR, H RMS, and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P21/c, with a = 12.888（9）, b = 15.543（10）, c = 9.119（6） ？, β = 94.05（3）°, V = 1822（2） ？3, Z = 4, Dc = 1.263 g/cm3, Mr = 346.41, μ = 0.081 mm-1, F（000） = 736.0, the final R = 0.0452 and wR = 0.1142 for 3404 observed reflections with（I 〉 2σ（I））. The crystal structure of 1 is stabilized by O–H···N, N–H···O, C–H···O hydrogen bonds and π-π interactions. The spectroscopic studies of 1 toward various metal ions were also investigated in 25%（V/V） ethanol aqueous solution, and the result showed that it can selectively recognize Zn2＋ with fluorescence enhancement.
基金supported by the Joint Project of Science and Technology Department of Guizhou Province(LH[2017]7256 and [2017]5788)
文摘A flexible urea-functionalized receptor bearing two p-nitrobenzene units was designed and synthesized from the reaction of precursors 4-nitrophenyl isocyanate and 1,2-bis(2?-aminophenoxy) benzene. The receptor was characterized by 1H NMR, MS, FTIR and elemental analysis, and the crystal structure of the receptor was determined by X-ray diffraction analysis. The crystal belongs to the orthorhombic system, space group Pca21 with a = 12.740(2), b =14.133(3), c = 15.842(3)A, V = 2852.4(9) A3, Z = 4, Mr = 620.57, Dc = 1.445 g/cm3, F(000)= 1288,= 0.0585 and wR = 0.1032 for 3177 observed reflections(Ⅰ> 2σ(Ⅰ)), and R = 0.1304 and wR =for all data. The results show that the receptor displays selective recognition ability for H2PO4– in DMSO with a series of anions using UV-Vis absorption spectra technique. Furthermore, the coordination reaction of the receptor with H2PO4– was investigated via UV-Vis spectra and 1 H NMR.The stoichiometric ratio and the association constant(Ka) of the coordination reaction were obtained as well.
