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Crystal Structure of a Ternary Copper(Ⅱ) Complex of N,N'-(p-Xylylene)dialanine Acid and 1,10-Phenanthroline

Crystal Structure of a Ternary Copper(Ⅱ) Complex of N,N'-(p-Xylylene)dialanine Acid and 1,10-Phenanthroline
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摘要 The compound [Cu2(bpy)2(PDIAla)(H2O)2](ClO4)2·H2O(H2PDIAla = N,N'-(p-xylylene)dialanine,bipy = 2,2'-bipyridine) 1 has been synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The crystal belongs to the monoclinic system,space group P21 with a = 10.9772(6),b = 18.5464(9),c = 11.0790(6) ,β = 116.3110o,V = 2021.87(18) 3,Z = 2,Dc = 1.594 Mg/m3,Mr = 970.70,μ = 1.260 mm-1,F(000) = 996,λ(MoKα) = 0.71073 ,the final R = 0.0400 and wR = 0.1050 for all observed reflections.In the structure,the O(5)-H(52)…O(4) hydrogen bonding between aqua ligand and carbonyl oxygen of the H2PDIAla ligand along the c axis produce hydrogen-bonded helices which are assembled along the b axis through O(61)-H(61)…O(2) and N(6)-H(6N)…O(2) interactions to form 2-D layers that are further linked by π···π interactions between bpy ligands to yield a three-dimensional supramolecular network. The compound [Cu2(bpy)2(PDIAla)(H2O)2](ClO4)2·H2O(H2PDIAla = N,N'-(p-xylylene)dialanine,bipy = 2,2'-bipyridine) 1 has been synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The crystal belongs to the monoclinic system,space group P21 with a = 10.9772(6),b = 18.5464(9),c = 11.0790(6) ,β = 116.3110o,V = 2021.87(18) 3,Z = 2,Dc = 1.594 Mg/m3,Mr = 970.70,μ = 1.260 mm-1,F(000) = 996,λ(MoKα) = 0.71073 ,the final R = 0.0400 and wR = 0.1050 for all observed reflections.In the structure,the O(5)-H(52)…O(4) hydrogen bonding between aqua ligand and carbonyl oxygen of the H2PDIAla ligand along the c axis produce hydrogen-bonded helices which are assembled along the b axis through O(61)-H(61)…O(2) and N(6)-H(6N)…O(2) interactions to form 2-D layers that are further linked by π···π interactions between bpy ligands to yield a three-dimensional supramolecular network.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第8期1270-1274,共5页 结构化学(英文)
基金 supported by the National Natural Science Foundation of China (20571035) the Ministry of Education,Singapore through NUS (FRC Grant No. R143-000-371-112)
关键词 copper(Ⅱ) complex hydrogen-bonded helices π···π interactions crystal structure copper(Ⅱ) complex,hydrogen-bonded helices,π···π interactions,crystal structure
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