A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals

Due to several failed attempts to crystallize indicaxanthin, a powerful antioxidant belonging to the vast family of betalains, its ab initio crystal structure prediction has been performed. The most probable crystal structures were then used for prediction of the crystal morphology. The obtained results could be considered as a good starting point for the complete understanding of indicaxanthin properties and behaviour.