Figure 5
Plot of the reaction cavities around the reactive NCC(H)2CCNO2 backbone (in bold) in (a) and (b) the α-form, (c) the γ-form, (d) the β-form and (e) 2-(2′,4′-dinitrobenzyl)pyridine, viewed parallel to the plane of the benzylic bridge. The cavities are represented as surfaces of the spheres from the surrounding atoms of the neighbouring atoms, the radius of each sphere being greater by 1.2 Å than the van der Waals radius for the atom (C: 1.700, H: 1.200, N: 1.550, O: 1.520 Å). The contour lines represent steps of 0.1 Å. Each number represents the cavity volume (Å3). |