Effect of pressure on the crystal structure of α-glycylglycine to 4.7 GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure

Moggach, S.A.; Allan, D.R.; Parsons, S.; Sawyer, L.

doi:10.1107/S0108768105042072

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
(a) Ball-and-stick model showing the R₂²(16) and R₄⁴(12) ring motifs under ambient pressure conditions between GLYGLY layers. Weak C=O⋯C=O interactions are drawn as pink dotted lines in the far left motif, while NH⋯O hydrogen bonds are drawn as black dotted lines. The largest component of the strain tensor is drawn as a red arrow in (a). Space-filling plots for R₂²(16) and R₄⁴(12) motifs in α-GLYGLY at ambient pressure (b) and (d), and 4.7 GPa (c) and (e) are drawn at the same scale and direction. For clarity, only the ammonium and carboxyl groups are included for comparison in (d) and (e). Note that voids within R₂²(16) and R₄⁴(12) ring motifs close up on increasing pressure. The colour scheme is the same as that in Fig. 2

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 2| March 2006| Pages 310-320

doi:10.1107/S0108768105042072

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