10-Formyl-2,4,6,8,12-penta-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0.0]dodecane acetone solvate.

ABSTRACT: The title compound, C(7)H(7)N(11)O(11)·C(3)H(6)O, consisting of one mol-ecule of 10-formyl-2,4,6,8,12-penta-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0(5,9).0(3,11)]dodecane (penta-nitro-mono-form-yl-hexa-aza-isowurtzitane, PNMFIW) and one acetone solvent mol-ecule, is a member of the caged hexa-azaisowurtzitane 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 mol-ecule, 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 mol-ecule 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].

SUBMITTER: Chen H 

PROVIDER: S-EPMC2979757 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature