首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >10-Formyl-246812-penta­nitro-24681012-hexa­azatetra­cyclo­5.5.0.059.0311dodecane acetone solvate
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10-Formyl-246812-penta­nitro-24681012-hexa­azatetra­cyclo­5.5.0.059.0311dodecane acetone solvate

机译:10-甲酰基-246812-五­硝基-24681012-六­杂酸酯环­ 5.5.0.059.0311十二烷丙酮溶剂化物

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摘要

The title compound, C7H7N11O11·C3H6O, consisting of one mol­ecule of 10-formyl-2,4,6,8,12-penta­nitro-2,4,6,8,10,12-hexa­azatetra­cyclo­[5.5.0.05,9.03,11]dodecane (penta­nitro­mono­form­yl­hexa­aza­isowurtzitane, PNMFIW) and one acetone solvent mol­ecule, is a member of the caged hexa­azaisowurtzitane family. PNMFIW has a cage structure which is constructed from one six-membered and two five-membered rings which are linked by a C—C bond, thus creating two seven-membered rings. In the PNMFIW mol­ecule, one formyl group is bonded to the N heteroatom of the six-membered cycle, and five nitro groups are appended to other five N heteroatom of the caged structure. The acetone solvent mol­ecule is arranged beside a five-membered plane of PNMFIW with an O atom and an H atom close (with respect to the sum of the van der Waals radii) to the neighbouring nitro O atom [O⋯O = 2.957 (3) and 2.852 (3) Å; O⋯ H = 2.692 (2), 2.526 (3) and 2.432 (3) Å].
机译:标题化合物,C7H7N11O11·C3H6O,由一分子的10-甲酰基-2,4,6,8,12-五硝基-2,4,6,8,10,12-六叠氮杂环[5.5.0.0sup5] ,9 .0 3,11 ]十二烷(五硝基单甲酰基六氮杂异纤锌矿型结构烷烃,PNMFIW)和一个丙酮溶剂分子是笼状六氮杂异纤锌矿型结构烷烃的成员。 PNMFIW具有一种笼状结构,该笼状结构由一个六元环和两个五元环构成,它们通过CC键相连,从而形成两个七元环。在PNMFIW分子中,一个甲酰基与六元环的N杂原子键合,五个硝基与笼形结构的其他五个N杂原子相连。丙酮溶剂分子排列在PNMFIW的五元平面旁边,该原子带有一个O原子和一个H原子(相对于范德华半径的总和)与相邻的硝基O原子[O⋯O = 2.957(3 )和2.852(3)Å; O⋯H = 2.692(2),2.526(3)和2.432(3)]。

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