首页> 外文期刊>Journal of chemical crystallography >A new class of flexible energetic salts, part 3: The crystal structures of the 3,3-dinitroazetidinium dinitramide and 1-i-propyl-3,3-dinitroazetidinium dinitramide salts
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A new class of flexible energetic salts, part 3: The crystal structures of the 3,3-dinitroazetidinium dinitramide and 1-i-propyl-3,3-dinitroazetidinium dinitramide salts

机译:新型柔性高能盐,第3部分:3,3-二硝基氮杂环丁烷二硝酰胺和1-i-丙基-3,3-二硝基氮杂环丁烷二硝酰胺盐的晶体结构

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摘要

The crystal structures of 3,3-dinitroazetidinium, 1, and 1-i-propyl-3,3-dinitroazetidinium dinitramide, 2, have been determined. 1 crystallizes in the orthorhombic space group Cmc2(1) with cell dimensions a = 9.932(1), b = 8.545(1), c = 11.107(1) Angstrom, while 2 crystallizes in the orthorhombic space group Pbca with cell dimensions a = 11.464(2), b = 11.657(2), c = 17.916(4) Angstrom. Compound 2 formed spontaneously from 1 by reacting with the solvent, acetone, during attempts to recrystallize it. The conformations adopted by the dinitramide ions are quite different with the bend, twist, and torsion angles for the dinitramide ion in 1 being much smaller than those in 2. Possible reasons for the dramatic differences in conformations observed in 1 and 2 are the different local symmetries for this ion found in the two structures as well as the absence of hydrogen bonding interactions in 2. [References: 39]
机译:已经确定了3,3-二硝基氮杂环丁烷1和1-i-丙基-3,3-二硝基氮杂环丁烷二硝酰胺2的晶体结构。 1在单元尺寸为a = 9.932(1),b = 8.545(1),c = 11.107(1)的正交空间群Cmc2(1)中结晶,而2在单元尺寸为a =的正交空间群Pbca中结晶。 11.464(2),b = 11.657(2),c = 17.916(4)埃。在尝试重结晶期间,通过与溶剂丙酮反应,化合物1由化合物1自发形成。二硝酰胺离子所采用的构象差异很大,其中1中的二硝酰胺离子的弯曲,扭曲和扭转角比2中的小得多。可能在1和2中观察到的构象显着差异的原因是局部在两个结构中发现该离子的对称性,以及在2中不存在氢键相互作用。[参考文献:39]

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