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首页> 外文期刊>Journal of chemical crystallography >Synthesis and spectral studies of bisthiocarbohydrazone and biscarbohydrazone of quinoline-2-carbaldehyde: Crystal structure of bis(quinoline-2-aldehyde) thiocarbohydrazone
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Synthesis and spectral studies of bisthiocarbohydrazone and biscarbohydrazone of quinoline-2-carbaldehyde: Crystal structure of bis(quinoline-2-aldehyde) thiocarbohydrazone

机译:喹啉-2-甲醛的双硫代o和双scar的合成及光谱研究:双(喹啉-2-醛)硫代的晶体结构

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摘要

Two new ligands, having flexible coordination ability, 1,5-bis(quinoline-2-carbaldehyde) thiocarbohydrazone and 1,5-bis(quinoline-2-carbaldehyde) carbohydrazone were synthesized and characterized by elemental analysis, IR, and UV spectral studies. The compounds exist in the thione/ketone tautomeric forms, as evidenced by IR spectral data. The structure of bis(quinoline-2-aldehyde) thiocarbohydrazone has been solved by single crystal XRD study. The compound C21H16N6S crystallizes in triclinic form with two independent molecules in the asymmetric unit, space group P (1) over bar, Z = 4, V = 1856.1(6) angstrom(3) with unit cell parameters a = 11.331(2) angstrom, b = 11.714(2) angstrom, c = 15.116(3) angstrom, alpha = 100.369(4)degrees, beta = 109.512(4)degrees and gamma = 90.134(4)degrees. Both molecules exist in the thione forms and show a Z-Z configuration about both azomethine bonds, with quinoline nitrogens on opposite sides. The N-N, N-C and the C-S bond distances of the thiocarbohydrazide moiety suggest extensive electron delocalization of the whole thiocarbohydrazone moiety.
机译:合成了两个具有灵活配位能力的新配体1,5-双(喹啉-2-甲醛)硫代和1,5-双(喹啉-2-甲醛)碳hydr并通过元素分析,红外和紫外光谱研究对其进行了表征。如红外光谱数据所证明的,这些化合物以硫酮/酮互变异构形式存在。通过单晶XRD研究已经解决了双(喹啉-2-醛)硫代碳study的结构。化合物C21H16N6S以三斜晶形式结晶,具有两个独立分子,位于不对称单元中,空间组P(1)超过bar,Z = 4,V = 1856.1(6)埃(3),单位晶胞参数a = 11.331(2)埃,b = 11.714(2)埃,c = 15.116(3)埃,α= 100.369(4)度,β= 109.512(4)度,伽马= 90.134(4)度。两个分子均以硫酮形式存在,并在两个偶氮甲碱键上均显示Z-Z构型,喹啉氮位于相对侧。硫代碳酰肼部分的N-N,N-C和C-S键距离表明整个硫代碳酰肼部分的广泛电子离域。

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