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Figure 1
The dimerized structure of 2,4-dihydroxybenzoic acid, showing the possible minor fraction disordered components as dashed lines and circles [see (I), (II) and (III)[link]]. One of these hydrogen bonds is mapped onto a schematic diagram illustrating the classical `double-minimum' representation of the energy of a hydrogen bond. This figure can represent either a fully ordered proton or a disordered proton depending on the energy difference between the two forms (ΔE) and the amount of energy in the structure (E). In this model, E is usually strongly correlated with T, the temperature of the data collection. The dimer is drawn with the thermal ellipsoids from the 90 K data shown at the 30% level; the thermal ellipsoids increase normally with temperature.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 63| Part 2| March 2007| Pages 303-308
doi:10.1107/S0108768106055212
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