G. Giuseppetti et al., THE CRYSTAL-STRUCTURE OF HYDROPYRROLIZIN)-3'-SPIRO-2''-INDIAN-1'',3''-DIONE, Zeitschrift fur Kristallographie, 209(4), 1994, pp. 360-362
C30H22N2O4Cl2, M(r) 545.41, triclinic, P1BAR, a = 12.127(2) angstrom,
b = 12.759(2) angstrom, c = 8.879(1) angstrom, alpha = 100.40(1)-degre
es, beta = 110.89(1)-degrees, gamma = 91.06(1)-degrees, V = 1257.3(3)
angstrom3, Z = 2, D(x) = 1.438 g cm-3, lambda(MoK(alpha)) = 0.7107 ang
strom, mu = 2.957 cm-1, F(000) = 564, T = 296 K, R = 0.036 for 2352 un
ique reflections with I > 4sigma(I). The configuration of the stereoce
ntres allows to infer the mechanism of the rearrangement of the cycloa
dduct, formed under kinetic conditions, of the 1.3-dipolar cycloadditi
on between oxoindolin-3-ylidene dipolarophile and azomethine ylide act
ing as 1,3-dipole. The stereocentres feature was confirmed by the crys
tal structure study.