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Figure 1
Sections of deformation maps of the L-phenylalanine formic acid complex, containing the atoms O2a—C2a—O1a and showing the hydrogen bond O2b—H2b⋯O2a. (a) Section of area 6 × 6 Å2 of the dynamic deformation density of the MEM [see (4[link])]. Contour intervals: 0.05 e Å-3. Solid lines indicate positive contours, dotted lines negative contours and dashed lines represent the zero contour. [\Delta\rho_{\rm min/max}] = −0.15/0.61 e Å-3. The cross indicates the BCP of the hydrogen bond, with d(H⋯O) = 1.45 Å, [\rho({\rm BCP})] = 0.599 e Å-3 and [\nabla^{2}\rho({\rm BCP})] = 0.32 e Å-5. (b) Static deformation density of the multipole model (reprinted with permission from Mebs et al., 2006BB38). Contour intervals: 0.10 e Å-3.

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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