4-Aminoquinaldine monohydrate polymorphism: Prediction and impurity aided discovery of a difficult to access stable form.

@article{Braun20164AminoquinaldineMP,
  title={4-Aminoquinaldine monohydrate polymorphism: Prediction and impurity aided discovery of a difficult to access stable form.},
  author={Doris E Braun and Herbert Oberacher and Kathrin Arnhard and Maria Orlova and Ulrich J Griesser},
  journal={CrystEngComm},
  year={2016},
  volume={18 22},
  pages={
          4053-4067
        }
}
Crystal structure prediction studies indicated the existence of an unknown high density monohydrate structure (Hy1B°) as global energy minimum for 4-aminoquinaldine (4-AQ). We thus performed an interdisciplinary experimental and computational study elucidating the crystal structures, solid form inter-relationships, kinetic and thermodynamic stabilities of the stable anhydrate (AH I°), the kinetic monohydrate (Hy1A ) and this novel monohydrate polymorph (Hy1B°) of 4-AQ. The crystal structure of… CONTINUE READING