Synthesis and Crystal Structure of 4,5-Diazafluorene-9-one Azine Hydrochloride Hydrate |
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引用本文: | 骆玥,徐端钧,吴智勇. Synthesis and Crystal Structure of 4,5-Diazafluorene-9-one Azine Hydrochloride Hydrate[J]. 结构化学, 2002, 21(3): 249-251 |
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作者姓名: | 骆玥 徐端钧 吴智勇 |
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作者单位: | Department of Chemistry,Zhejiang University,Hangzhou 310027,China |
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基金项目: | The project was supported by the National Natural Science Foundation (29973036) of China |
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摘 要: | 1 INTRODUCTION During the study of polynuclear complexes with the aim to investigate the magnetic super-exchange interaction between the adjacent metal ions bridged by a conjugation molecule[1], we have made efforts to prepare complexes bridged by 4, 5-diazafluorene-9-one azine (DAA) and found that the coordination ability of DAA is poor in the acidic solution. In order to probe the reason, DAA has been crystallized from the hydrochloric acid solution and its crystal structure has b…
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Synthesis and Crystal Structure of 4, 5-Diazafluorene-9-one Azine Hydrochloride Hydrate |
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Abstract: | Crystals of the title compound C22H12N62HCl?H2O (DAA稨Cl) were obtained from a HCl aqueous solution of 4, 5-diazafluorene-9-one azine. The crystal belongs to monoclinic, space group P21/c with a = 5.203(3), b = 8.991(3), c = 22.17(1) , b = 92.13(4), V = 1036.2(9) 3, Z = 2, C22H18N6O2Cl2, Mr = 468.1, Dc = 1.503 g/cm3, F(000) = 484, m(MoKa) = 0.344 mm-1, R = 0.052 and wR = 0.056 for 755 observed reflections. The Cl…N(2) distance of 2.999(6) ?and Cl…HN(2) angle of 160.8(8)o imply the existence of a stronger H-bond between Cl and DAA. And both the rather longer ClH distance of 1.814(2) ?and the unexpected shorter N(2)H distance of 1.236(6) ?suggest the protonation of DAA molecule and explain the weak coordination ability of DAA to a metal center in the acidic solution. |
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Keywords: | diazafluorene-9-one azine crystal structure protonation coordination ability |
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