Crystal structure of the title mesocyclic diamine has been determinedby X-ray diffraction analysis. The crystal belongs to triclinic system, space group P1,with crystallographic parameters C6H14N2O2. 2HBr. EtOH, Mr= 3...Crystal structure of the title mesocyclic diamine has been determinedby X-ray diffraction analysis. The crystal belongs to triclinic system, space group P1,with crystallographic parameters C6H14N2O2. 2HBr. EtOH, Mr= 354. 08, a= 7. 813(4), b=8. 109(5), c=11. 153(5) ,a=82. 50(7),β=81. 60(4),γ=75. 53(8)°, V= 673. 5 (7) , Z= 2, Dc= 1. 519g. cm-3,μ= 59. 364 cm-1 (MoKa), F(000) =356, R=0. 082,R.= 0. 095 for 2550 observed reflections with I≥3σ(I). The determination suggests that the molecular ring is folded to make the conformation look like acrown.展开更多
Crystal structure of nickel(Ⅱ) complex with a new mesocyclic diamineligand, 3-hydroxy1-1, 5-diazacycloheptane, C10H24N41NiO2Br2. 2H2O, Mr=486. 9 is reported. It crystallizes in monoclinic P21/c with a=7. 167 (1 ), b=...Crystal structure of nickel(Ⅱ) complex with a new mesocyclic diamineligand, 3-hydroxy1-1, 5-diazacycloheptane, C10H24N41NiO2Br2. 2H2O, Mr=486. 9 is reported. It crystallizes in monoclinic P21/c with a=7. 167 (1 ), b=13. 794 (3 ), c =9. 726 (3),β=109.42(2)°, V= 906. 8 (4) , Z= 2, Dc= 1.783g/cm3, μ=5. 477mm-1, F(000) =492. The final R and Rw are 0.045 and 0.045 for 1155 observedreflections with I≥4. 0σ(I). The result of X-ray structure determination shows thatnickel (Ⅱ) forms an octahedral bicyclic complex with 3-hydroxy1-1, 5-diazacycloheptane.展开更多
Crystal structure of copper(Ⅱ) complex with a new mesocyclic diamine ligand 3-hydroxyl-1, 5-diazacyclooctane, Cu [C_(12)H_(28)N_4O_2]Br_2, M_r= 483. 7 is reported. It crystallizes in orthorhombic Pbca with a= 16. 201...Crystal structure of copper(Ⅱ) complex with a new mesocyclic diamine ligand 3-hydroxyl-1, 5-diazacyclooctane, Cu [C_(12)H_(28)N_4O_2]Br_2, M_r= 483. 7 is reported. It crystallizes in orthorhombic Pbca with a= 16. 201 (5), b=10. 513 (4), c=9. 992(4) A, V=1701. 8(7) A￣3, Z=4, D_c=1. 888 g/cm￣3, μ=49. 5 cm￣(-1) (MoKa),F(000) = 972. The final R and Rto are 0. 039 and 0. 047 for 1052 observed reflections with I≥3σ(I). The result of X-ray structure determination shows that 3hydroxyl-1,5-diazacyclooctane forms a 2 :1 complex with CuBr_2 in which the central copper ion is sandwiched between the two ligands.展开更多
The crystal structure of Ni(Ⅱ) complex with 3-hydroxyl-1, 5-diazacycloheptane-N, N'-diacetate was determined by X-ray diffraction method. Crystal data for Ni2 (C9H14N2O5)2·2H2O: monoclinic, space group P21/n...The crystal structure of Ni(Ⅱ) complex with 3-hydroxyl-1, 5-diazacycloheptane-N, N'-diacetate was determined by X-ray diffraction method. Crystal data for Ni2 (C9H14N2O5)2·2H2O: monoclinic, space group P21/n, a = 1.1717(5), b = 0.9794(3), c = 1.2971(2) nm, β= 96.62(3), V= 1.4786(7) nm3, Dc = 1.377 g/cm3, Z = 2,μ=13.321 cm-1 (Mo-Kα), F(000)=640. The final R and Rw are 0.075 and 0.089 respectively. The Ni(Ⅱ) ion forms 2:2 complex with ligand. Two ligands are bridged by two Ni(Ⅱ) atoms which are bridged by two O atoms. Every Ni(Ⅱ) is coordinated by two N atoms and four 0 atoms. The coordination polyhedron of the Ni(Ⅱ) ion is a distorted octahedron.展开更多
Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction method.The crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=1...Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction method.The crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=12.702(2)A,V=916.3(7) A3, Z=4,Dc=2.015g.cm-3,μ=87. 084 cm-1(MoKa),F(000)=634.6,R=0.078,Rw=0. 099 for 1169 observed reflections with I≥3σ(I) It is confirmed by the determination that the conformation of the title compound is rather like a crown than regular chair or boat form.展开更多
文摘Crystal structure of the title mesocyclic diamine has been determinedby X-ray diffraction analysis. The crystal belongs to triclinic system, space group P1,with crystallographic parameters C6H14N2O2. 2HBr. EtOH, Mr= 354. 08, a= 7. 813(4), b=8. 109(5), c=11. 153(5) ,a=82. 50(7),β=81. 60(4),γ=75. 53(8)°, V= 673. 5 (7) , Z= 2, Dc= 1. 519g. cm-3,μ= 59. 364 cm-1 (MoKa), F(000) =356, R=0. 082,R.= 0. 095 for 2550 observed reflections with I≥3σ(I). The determination suggests that the molecular ring is folded to make the conformation look like acrown.
文摘Crystal structure of nickel(Ⅱ) complex with a new mesocyclic diamineligand, 3-hydroxy1-1, 5-diazacycloheptane, C10H24N41NiO2Br2. 2H2O, Mr=486. 9 is reported. It crystallizes in monoclinic P21/c with a=7. 167 (1 ), b=13. 794 (3 ), c =9. 726 (3),β=109.42(2)°, V= 906. 8 (4) , Z= 2, Dc= 1.783g/cm3, μ=5. 477mm-1, F(000) =492. The final R and Rw are 0.045 and 0.045 for 1155 observedreflections with I≥4. 0σ(I). The result of X-ray structure determination shows thatnickel (Ⅱ) forms an octahedral bicyclic complex with 3-hydroxy1-1, 5-diazacycloheptane.
文摘Crystal structure of copper(Ⅱ) complex with a new mesocyclic diamine ligand 3-hydroxyl-1, 5-diazacyclooctane, Cu [C_(12)H_(28)N_4O_2]Br_2, M_r= 483. 7 is reported. It crystallizes in orthorhombic Pbca with a= 16. 201 (5), b=10. 513 (4), c=9. 992(4) A, V=1701. 8(7) A￣3, Z=4, D_c=1. 888 g/cm￣3, μ=49. 5 cm￣(-1) (MoKa),F(000) = 972. The final R and Rto are 0. 039 and 0. 047 for 1052 observed reflections with I≥3σ(I). The result of X-ray structure determination shows that 3hydroxyl-1,5-diazacyclooctane forms a 2 :1 complex with CuBr_2 in which the central copper ion is sandwiched between the two ligands.
文摘The crystal structure of Ni(Ⅱ) complex with 3-hydroxyl-1, 5-diazacycloheptane-N, N'-diacetate was determined by X-ray diffraction method. Crystal data for Ni2 (C9H14N2O5)2·2H2O: monoclinic, space group P21/n, a = 1.1717(5), b = 0.9794(3), c = 1.2971(2) nm, β= 96.62(3), V= 1.4786(7) nm3, Dc = 1.377 g/cm3, Z = 2,μ=13.321 cm-1 (Mo-Kα), F(000)=640. The final R and Rw are 0.075 and 0.089 respectively. The Ni(Ⅱ) ion forms 2:2 complex with ligand. Two ligands are bridged by two Ni(Ⅱ) atoms which are bridged by two O atoms. Every Ni(Ⅱ) is coordinated by two N atoms and four 0 atoms. The coordination polyhedron of the Ni(Ⅱ) ion is a distorted octahedron.
文摘Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction method.The crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=12.702(2)A,V=916.3(7) A3, Z=4,Dc=2.015g.cm-3,μ=87. 084 cm-1(MoKa),F(000)=634.6,R=0.078,Rw=0. 099 for 1169 observed reflections with I≥3σ(I) It is confirmed by the determination that the conformation of the title compound is rather like a crown than regular chair or boat form.
