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Figure 4
Detail of the hydrogen-bond network of TFA form I in two orientations, showing the hydrogen bonds (red dotted lines) and the deformation of the electron density calculated by TONTO (Capelli et al., 2014BB7). The differing mol­ecular orbitals for O15 and O16 are clearly visible. Negative electron density is shown with green surfaces and positive electron density is shown with red (threshold level −0.25, Res/Å). Ellipsoids of carbon atoms are shown in grey, nitro­gen blue, oxygen red and hydrogen white.

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