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首页> 外文期刊>Journal of chemical crystallography >Synthesis and crystal structure of the perchlorate salt of diprotonated N,N'-bis(1-methylimidazole-2-methyl)-1,5-diazacyclooctane
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Synthesis and crystal structure of the perchlorate salt of diprotonated N,N'-bis(1-methylimidazole-2-methyl)-1,5-diazacyclooctane

机译:二质子化N,N'-双(1-甲基咪唑-2-甲基)-1,5-二氮杂环辛烷的高氯酸盐的合成和晶体结构

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摘要

The diprotonated perchlorate salt of a new 1,5-diazacyclooctane (DACO) mesocycle functionalized by two imidazole pendants, N,N'-bis(1-methylimidazole-2-methyl)-1,5-diazacyclooctane (C_(16)H_(28)N_6Cl_2O_8), has been synthesized and the structure determined by X-ray diffraction analysis. The title compound crystallizes in the monoclinic system, space group P2_1/c with a = 11.964(2), b = 13.251(3), c = 14.741(3) A, β = 106.00(3)°, Mr = 503.34, V = 2246(1) A~3, Z = 4. The crystal structure of the title compound reveals that the DACO ring is also folded up into the "chair/boat" configuration, which is consistent with the configuration in most of the transition metal complexes of DACO and its derivatives. The two imidazole pendants of the compound are in cis position with a dihedral angle of 16.0(4)°.
机译:由两个咪唑侧基N,N'-双(1-甲基咪唑-2-甲基)-1,5-二氮杂环辛烷(C_(16)H_( 28)N_6Cl_2O_8),已经合成并且通过X射线衍射分析确定了结构。标题化合物在单斜晶系空间群P2_1 / c中结晶,a = 11.964(2),b = 13.251(3),c = 14.741(3)A,β= 106.00(3)°,Mr = 503.34,V = 2246(1)A〜3,Z =4。标题化合物的晶体结构表明,DACO环也折叠成“椅子/船形”构型,这与大多数过渡金属的构型是一致的DACO及其衍生物的配合物。该化合物的两个咪唑侧基处于顺式位置,二面角为16.0(4)°。

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