Figure 3
Sections of area 6×6 Å2 of dynamic deformation densities [see (4)] showing hydrogen bonds of the type O—H⋯O. (a) The plane containing the atoms O2b—H2b—O2a of the L-phenylalanine formic acid complex. = −0.15/0.46 e Å-3. This is a different plane containing the same hydrogen bond as displayed in Fig. 1(a). (b) The plane containing the atoms O5—H15—O6 of Ala–Tyr–Ala with ethanol. = −0.12/0.37 e Å-3. Properties of the hydrogen bond O5—H15⋯O6: d(H⋯O) = 1.67 Å, = 0.435 e Å-3 and = 2.05 e Å-5. Crosses indicate BCPs; contour interval: 0.05 e Å-3; contour lines as defined in Fig. 1. |