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Crystal　Structure　of　3－hydroxyl－1，5－diazacycloheptane　Dihydrobromide　C_5H_（12）N_2O·2HBr

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Chinese Journal of Structural Chemistry 1996年第5期15卷 371-373页

作者： LIU Yong XUE Guo-Ping WU Cheng-Tai(Department of Chemistry, Wuhan University, Wuhan,430072)LUO Bao-Sheng CHEN Liao-Rong(Centre of Analysis and Testing,Wuhan University, Wuhan, 430072) Department of Chemistry Wuhan University Wuhan 430072 Centre of Analysis and Testing Wuhan University Wuhan 430072

Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction *** 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=***-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.

关键词： crystal structure mesocyclic diamine free ligand

Crystal　Structure　of　Copper（Ⅱ）　Complex　with　3－Hydroxyl－1，5－diazacyclooctane

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Chinese Journal of Structural Chemistry 1996年第4期15卷 315-317页

作者： Liu Sheng-Hua Xue Guo-Ping Fu En-Qin Wu ChengTai(Department of Chemistry, Wuhan University, Wuhan 430072) Luo Bao-Sheng Chen Liao-Rong(Centre of Analysis and Testing, Wuhan University, Wuhan 430072)

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.

关键词： crystal structure mesocyclic diamine copper complex

Crystal Structure of 3, 7-Dihydroxy1-1, 5-diazacyclooctane Dihydrobromide C_6H_(14)N_2O_2. 2HBr. EtOH

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Chinese Journal of Structural Chemistry 1997年第5期16卷 338-341页

作者： LIU Yong XUE Guo-Ping WU Cheng-Tai(Department of Chemistry, Wuhan Universiry, Wuhan, 430072)LUO Bao-Sheng CHEN Liao-Rong(Centre of Analysis and Testing, Wuhan University, Wuhan, 430072)

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.

关键词： crystal structure mesocyclic diamine diazacyclooctane

Synthesis and crystal structure of dinuclear nickel (Ⅱ) complex

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Chinese Journal of Chemistry 1999年第1期17卷 32-35,1页

作者：刘盛华谌了容付恩琴吴成泰 Department of Chemistry Wuhan University Wuhan 430072 Hubei China Center of Analysis and Testing Wuhan University Wuhan 430072 Hubei China

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.

关键词： Crystal structure mesocyclic diamine diacetate derivative nickel complex