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. 2009;48(45):8505-8.
doi: 10.1002/anie.200903285.

Unmasking a third polymorph of a benchmark crystal-structure-prediction compound

Saikat Roy  1 , Adam J Matzger
Affiliations

Unmasking a third polymorph of a benchmark crystal-structure-prediction compound

Saikat Roy et al. Angew Chem Int Ed Engl. 2009.
No abstract available

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Figures

Figure 1
Figure 1
Experimental powder X-ray diffraction pattern of form I, form II, and form III.
Figure 2
Figure 2
Hydrogen-bonding synthons in a) form I (synthon B), b) form II (synthon A), and c) form III (synthon B).
Figure 3
Figure 3
a) Anti arrangement of phenyl rings in catemers of form I. Syn orientation of phenyl rings in stacked layers of b) dimer in form II and c) catemer of form III.
Figure 4
Figure 4
Overlay of symmetry-independent molecules of form I (pink), form II molecule A (green), form II molecule B (blue), and form III (red).
Figure 5
Figure 5
Relative contribution to the Hirshfeld surface for the various intramolecular contacts for the molecules in form I, form II molecule A, form II molecule B, and form III.
Scheme 1
Scheme 1
Chemical structure of blind-test molecule 1.
Scheme 2
Scheme 2
The four-point synthon A and two-point synthon B.
See this image and copyright information in PMC

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