Structure of 9-nitro-[4]peristylane-1,5-dione.
Decahydro-1,6:3,4-dimethano-3a-nitrocyclobuta [1,2:3,4]dicyclopentene-2,5-dione (II), C12-H11NO4, Mr = 233.2, monoclinic, P2(1)/n, a = 13.378 (7), b = 6.614 (1), c = 23.040 (15) A, beta = 92.53 (5) degrees, V = 2036.6 (4) A3, Z = 8, D chi = 1.521 g cm-3, Cu K alpha, lambda = 1.54178 A, mu = 9.3 cm-1, F(000) = 1312, T = 293 K, final R = 0.047, wR = 0.075 for 3075 reflections with I greater than 3 sigma(I). There are no unusually short intermolecular distances. A comparison of the molecular densities and packing coefficients of (I) [4]peristylane-1,5-dione with (II), indicates that the change in crystal density from (I) (1.415 g cm-3) to (II) (1.521 g cm-3) is the sole result of an increase in molecular density with NO2 substitution. The packing coefficients for (I) and (II) are identical.
Ammon
H L
HL
Department of Chemistry and Biochemistry, University of Maryland, College Park 20742.
Paquette
L A
LA
D001952:Bridged-Ring Compounds / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D015394:Molecular Structure; D014961:X-Ray Diffraction
D001952:Bridged-Ring Compounds; C073239:9-nitro-(4)peristylane-1,5-dione