A novel metal organic compound of Zn2+ coordinated with 4,5-diazafluorene- 9-one-N2 (C22H12N6) has been synthesized under solvothermal condition. Single-crystal X-ray diffraction analysis showed that the compound is a...A novel metal organic compound of Zn2+ coordinated with 4,5-diazafluorene- 9-one-N2 (C22H12N6) has been synthesized under solvothermal condition. Single-crystal X-ray diffraction analysis showed that the compound is a one-dimensional zig-zag chain structure combined by Cl…H–C bonds. The crystal is of orthorhombic, space group Pnna, C22H12N6Cl2Zn, Mr = 496.65, a = 8.1132(13), b = 18.983(3), c = 13.116(2) ?, Z = 4, V = 2020.2(5) ?3, Dc = 1.633 g/cm3, μ = 1.504 mm-1, F(000) = 1000, T = 293(2) K, the final R = 0.0626 and wR = 0.1474 for 2390 unique reflections and 150 parameters with I > 2σ(I). The refinement method was full-matrix least-squares on F2 with GOF = 0.951. This compound was also characterized by FT-IR, Raman, UV-vis spectra, and TG-DTA.展开更多
A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The cry...A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.展开更多
A novel luminescent coordination compound Eu（TTA）3（DEDAF）（1, TTA = 1,1,1-trifluoro-3-（2-thenoyl）acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren） has been synthesized and fully characterized by infrared spectrum,...A novel luminescent coordination compound Eu（TTA）3（DEDAF）（1, TTA = 1,1,1-trifluoro-3-（2-thenoyl）acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren） has been synthesized and fully characterized by infrared spectrum, elemental analysis, UV-vis spectrum, etc. X-ray single-crystal diffraction analysis reveals that compound 1 shows a mononuclear structure with the europium atom in coordinating to one DAF and three TTA ligands. The mononuclear structure units are assembled into a 3-D polymer by hydrogen bonds and π-π interactions. Photoluminescent property of 1 was investigated in detail at room temperature. Complex 1 emits strong red luminescence. However, it could be quenched even by small amount of water. The fluorescence intensity at 614 nm decreases linearly with the water content increasing（vol% in acetonitrile） in the range of 0.025~0.2% under 278 nm excitation. Thermogravimetric analysis has also been studied, which demonstrates good thermal stability of 1.展开更多
A new bimetallic Cu?complex, [(phen)Cu(μ bdmp)Cu(phen)](ClO4)4·2H2O, where phen and bdmp denote 1,10 phenanthroline and 1,1′ bis(nitrilomethylidyne 4,5 diazafluoren) 4,4′ (μ methylene)bisphenyl respectively w...A new bimetallic Cu?complex, [(phen)Cu(μ bdmp)Cu(phen)](ClO4)4·2H2O, where phen and bdmp denote 1,10 phenanthroline and 1,1′ bis(nitrilomethylidyne 4,5 diazafluoren) 4,4′ (μ methylene)bisphenyl respectively was synthesized and its DNA binding behavior was studied by photophysical methods. It has been found that calf thymus DNA could result in significant decrease both in electronic absorption and fluorescent emission of the complex. The fluorescence quenching by ferrocyanide could be reduced to some extent for the complexin presence of DNA. These facts suggest that this dicopper?complex binds to double helix DNA by partial intercalation.展开更多
The title compound Fe(CH4N2S)2Cl22(C11H6N2O) (Mr = 643.35) has been prepared and its crystal structure was determined by X-ray diffraction method with the following data: triclinic, space group P1, a = 7.3742(10), b =...The title compound Fe(CH4N2S)2Cl22(C11H6N2O) (Mr = 643.35) has been prepared and its crystal structure was determined by X-ray diffraction method with the following data: triclinic, space group P1, a = 7.3742(10), b = 13.0427(12), c = 15.215(2) , a = 88.969(12), b = 78.004(12), g = 79.689(11)o, V = 1408.1(3) 3, Z = 2, Dx = 1.517 g/cm3, m = 0.912 mm-1 and F(000) = 656. The final R = 0.030 and wR = 0.078 for 4070 observed reflections (I > 2s(I)), and R = 0.064 and wR = 0.091 for 5516 independent ones. The crystal consists of tetrahedral Fe(II) complex and hydrogen bonded 4,5-diazafluoren-9-one (dafone). The carbonyl bridge in dafone distorts the bipyridine moiety and results in the longer N…N separation of 3.071(3) and 3.061(3) ? There exists an extensive intermolecular hydrogen bond network in the crystal, and p-p stacking is observed between the neighboring dafone rings.展开更多
The polymorphic isomer [Cu(dafone)2(H2O)2](Hphth)2 1 (dafone = 4,5- diazafluoren-9-one, phth = 1,2-benzenedicarboxyl) has been synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal ...The polymorphic isomer [Cu(dafone)2(H2O)2](Hphth)2 1 (dafone = 4,5- diazafluoren-9-one, phth = 1,2-benzenedicarboxyl) has been synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data: C38H26CuN4O12, monoclinic, space group P21/a with a = 11.5863(18), b = 25.512(4), c = 11.878(2) ?, β = 111.696(3)o, V = 3262.1(9) ?3, Mr = 794.17, Z = 4, Dc = 1.617 g/cm3, F(000) = 1628, μ = 0.748 mm-1, R = 0.0603 and wR = 0.1132 for 6878 observed reflections with I > 2σ(I). 1 consists of one [Cu(dafone)2(H2O)2]2+ cation and two monoprotonated 1,2-benzenedicarboxyl (Hphth) anions and forms a two-dimensional hydrogen bond network via intermolecular hydrogen bond interactions between the coordinated water molecules and carboxylato-oxygen atoms from monoprotonated benzenedicarboxyl anions.展开更多
A new one-dimensional compound [Cd(dafo)(SCN)2]n (dafo=4,5-diazafluoren-9-one) has been synthesized and characterized by single crystal X-ray diffraction. It crystallizes in the orthorhombic system; space group Pbca w...A new one-dimensional compound [Cd(dafo)(SCN)2]n (dafo=4,5-diazafluoren-9-one) has been synthesized and characterized by single crystal X-ray diffraction. It crystallizes in the orthorhombic system; space group Pbca with a=1.708 6(5), b=1.303 6(4), c=2.592 6(8) nm, V=5.775(3) nm3, and Z=16. The crystal structure revealed that the structure of [Cd(dafo)(SCN)2]n features μ-1,3-thiocyante bridges and 1D chains. It consists of octahedrally coordinated Cd atoms. Both Cd(1) and Cd(2) are surrounded by two nitrogen atoms from dafo, two S atoms and two N atoms from two di-μ-1,3 thiocyanato bridges. CCDC: 251185.展开更多
基金This work was supported by the Natural Science Foundation (No. 20201013) and "Plan of Outstanding Talents" of the Chinese Academy of Sciences
文摘A novel metal organic compound of Zn2+ coordinated with 4,5-diazafluorene- 9-one-N2 (C22H12N6) has been synthesized under solvothermal condition. Single-crystal X-ray diffraction analysis showed that the compound is a one-dimensional zig-zag chain structure combined by Cl…H–C bonds. The crystal is of orthorhombic, space group Pnna, C22H12N6Cl2Zn, Mr = 496.65, a = 8.1132(13), b = 18.983(3), c = 13.116(2) ?, Z = 4, V = 2020.2(5) ?3, Dc = 1.633 g/cm3, μ = 1.504 mm-1, F(000) = 1000, T = 293(2) K, the final R = 0.0626 and wR = 0.1474 for 2390 unique reflections and 150 parameters with I > 2σ(I). The refinement method was full-matrix least-squares on F2 with GOF = 0.951. This compound was also characterized by FT-IR, Raman, UV-vis spectra, and TG-DTA.
文摘A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.
基金supported by the Natural Science Foundation of Zhejiang Province(No.LY16B030009)National Natural Science Foundation of China(No.61205184)521 Talent Cultivation of Zhejiang Sci-Tech University(521 talent project of ZSTU)
文摘A novel luminescent coordination compound Eu（TTA）3（DEDAF）（1, TTA = 1,1,1-trifluoro-3-（2-thenoyl）acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren） has been synthesized and fully characterized by infrared spectrum, elemental analysis, UV-vis spectrum, etc. X-ray single-crystal diffraction analysis reveals that compound 1 shows a mononuclear structure with the europium atom in coordinating to one DAF and three TTA ligands. The mononuclear structure units are assembled into a 3-D polymer by hydrogen bonds and π-π interactions. Photoluminescent property of 1 was investigated in detail at room temperature. Complex 1 emits strong red luminescence. However, it could be quenched even by small amount of water. The fluorescence intensity at 614 nm decreases linearly with the water content increasing（vol% in acetonitrile） in the range of 0.025~0.2% under 278 nm excitation. Thermogravimetric analysis has also been studied, which demonstrates good thermal stability of 1.
文摘A new bimetallic Cu?complex, [(phen)Cu(μ bdmp)Cu(phen)](ClO4)4·2H2O, where phen and bdmp denote 1,10 phenanthroline and 1,1′ bis(nitrilomethylidyne 4,5 diazafluoren) 4,4′ (μ methylene)bisphenyl respectively was synthesized and its DNA binding behavior was studied by photophysical methods. It has been found that calf thymus DNA could result in significant decrease both in electronic absorption and fluorescent emission of the complex. The fluorescence quenching by ferrocyanide could be reduced to some extent for the complexin presence of DNA. These facts suggest that this dicopper?complex binds to double helix DNA by partial intercalation.
基金This work was supported by the National Natural Science Foundation of China (29973036)
文摘The title compound Fe(CH4N2S)2Cl22(C11H6N2O) (Mr = 643.35) has been prepared and its crystal structure was determined by X-ray diffraction method with the following data: triclinic, space group P1, a = 7.3742(10), b = 13.0427(12), c = 15.215(2) , a = 88.969(12), b = 78.004(12), g = 79.689(11)o, V = 1408.1(3) 3, Z = 2, Dx = 1.517 g/cm3, m = 0.912 mm-1 and F(000) = 656. The final R = 0.030 and wR = 0.078 for 4070 observed reflections (I > 2s(I)), and R = 0.064 and wR = 0.091 for 5516 independent ones. The crystal consists of tetrahedral Fe(II) complex and hydrogen bonded 4,5-diazafluoren-9-one (dafone). The carbonyl bridge in dafone distorts the bipyridine moiety and results in the longer N…N separation of 3.071(3) and 3.061(3) ? There exists an extensive intermolecular hydrogen bond network in the crystal, and p-p stacking is observed between the neighboring dafone rings.
基金This work was supported by the Natural Science Foundation of University of Jiangsu Province (No. 03KJB150118) and the Funds of Key Laboratory of Organic Synthesis of Jiangsu Province.
文摘The polymorphic isomer [Cu(dafone)2(H2O)2](Hphth)2 1 (dafone = 4,5- diazafluoren-9-one, phth = 1,2-benzenedicarboxyl) has been synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data: C38H26CuN4O12, monoclinic, space group P21/a with a = 11.5863(18), b = 25.512(4), c = 11.878(2) ?, β = 111.696(3)o, V = 3262.1(9) ?3, Mr = 794.17, Z = 4, Dc = 1.617 g/cm3, F(000) = 1628, μ = 0.748 mm-1, R = 0.0603 and wR = 0.1132 for 6878 observed reflections with I > 2σ(I). 1 consists of one [Cu(dafone)2(H2O)2]2+ cation and two monoprotonated 1,2-benzenedicarboxyl (Hphth) anions and forms a two-dimensional hydrogen bond network via intermolecular hydrogen bond interactions between the coordinated water molecules and carboxylato-oxygen atoms from monoprotonated benzenedicarboxyl anions.
文摘A new one-dimensional compound [Cd(dafo)(SCN)2]n (dafo=4,5-diazafluoren-9-one) has been synthesized and characterized by single crystal X-ray diffraction. It crystallizes in the orthorhombic system; space group Pbca with a=1.708 6(5), b=1.303 6(4), c=2.592 6(8) nm, V=5.775(3) nm3, and Z=16. The crystal structure revealed that the structure of [Cd(dafo)(SCN)2]n features μ-1,3-thiocyante bridges and 1D chains. It consists of octahedrally coordinated Cd atoms. Both Cd(1) and Cd(2) are surrounded by two nitrogen atoms from dafo, two S atoms and two N atoms from two di-μ-1,3 thiocyanato bridges. CCDC: 251185.
