Structure of 2-methoxycarbonyl-1,4-dinitrocubane.
The title compound, methyl 2,7-dinitropentacyclo-[4.2.0.0(2,5).0(3,8).0(4,7)]octane-1-carboxy late, is one of the few examples of cubanes with substituents on adjacent C atoms. There are two enantiomeric molecules per asymmetric unit in a structure with a noncentrosymmetric space group, P2(1)2(1)2. The molecules differ primarily in the conformations of the C-NO2 groups adjacent to the methoxycarbonyl sustituents. The 1,2-disubstituted cubane C-C bonds average 1.564 A, a typical value for an unsubstituted cubane bond.
Ammon
H L
HL
Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
Bashir-Hashemi
A
A
D018360:Crystallography, X-Ray; D003516:Cycloparaffins / Q000737:chemistry*; D015394:Molecular Structure; D009574:Nitro Compounds / Q000737:chemistry*; D013237:Stereoisomerism
D003516:Cycloparaffins; D009574:Nitro Compounds; C084281:methyl 2,7-dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))octane-1-carboxylate