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Figure 4
Sections of area 6×6 Å2 of dynamic deformation densities [see (4)[link]] showing hydrogen bonds of the type N—H⋯O. (a) The plane containing the points O2—BCP—H3 of L-alanine. [\Delta\rho_{\rm min/max}] = −0.13/0.43 e Å-3. This is a different plane containing the same hydrogen bond as displayed in Fig. 2[link](a). (b) The plane containing the atoms N1b—H13b—O1a of the L-phenylalanine formic acid complex. [\Delta\rho_{\rm min/max}] = −0.11/0.50 e Å-3. Properties of the hydrogen bond N1b—H13b⋯O1a are: d(H⋯O) = 1.71 Å, [\rho({\rm BCP})] = 0.402 e Å-3 and [\nabla^{2}\rho({\rm BCP})] = 2.82 e Å-5. (c) The plane containing the atoms O5—H11b—N1 of Ala–Tyr–Ala with water. [\Delta\rho_{\rm min/max}] = −0.12/0.56 e Å-3. Properties of the hydrogen bond N1—H11b⋯O5 are: d(H⋯O) = 1.76 Å, [\rho({\rm BCP})] = 0.364 e Å-3 and [\nabla^{2}\rho({\rm BCP})] = 0.57 e Å-5. Crosses indicate BCPs, contour intervals: 0.05 e Å-3, contour lines as defined in Fig. 1[link].

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 65| Part 5| August 2009| Pages 624-638
doi:10.1107/S0108768109026767
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