Supporting Information for: "A prolific solvate former, galunisertib, under the pressure of crystal structure prediction, produces ten diverse polymorphs"

  • Rajni M. Bhardwaj (Creator)
  • Jennifer A. McMahon (Creator)
  • Jonas Nyman (Creator)
  • Louise S Price (Creator)
  • Sumit Konar (Creator)
  • Iain Oswald (Creator)
  • Colin R. Pulham (Creator)
  • Sarah L. Price (Creator)
  • Susan M. Reutzel-Edens (Creator)

Dataset

Description

The Supporting Information is available free of charge on the ACS Publications website at DOI: https://pubs.acs.org/doi/suppl/10.1021/jacs.9b06634

- Crystal structures for the experimental forms (CIF)
- Crystal structures for CSP1 (CIF)
- Crystal structures for CSP2 (CIF)
- Crystallography (powder, single crystal), solid form screen details, crystal structure prediction study details, solubility, solid form characterization (solid-state NMR spectroscopy, GVS, differential scanning calorimetry, solubility), hydrogen-bond propensity analysis, and full interaction maps (PDF)

Crystallographic information file
- ja9b06634_si_001.cif (23.87 MB)
- ja9b06634_si_002.cif (863.31 kb)
- ja9b06634_si_003.cif (2.77 MB)

PDF
- ja9b06634_si_004.pdf (5.37 MB)
Date made available30 Aug 2019
PublisherAmerican Chemical Society

Cite this

Bhardwaj, R. M. (Creator), McMahon, J. A. (Creator), Nyman, J. (Creator), Price, L. S. (Creator), Konar, S. (Creator), Oswald, I. (Creator), Pulham, C. R. (Creator), Price, S. L. (Creator), Reutzel-Edens, S. M. (Creator). (30 Aug 2019). Supporting Information for: "A prolific solvate former, galunisertib, under the pressure of crystal structure prediction, produces ten diverse polymorphs". American Chemical Society. 10.1021/jacs.9b06634