Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally...

Area of Science:

• Solid-state chemistry
• Materials science
• Crystallography

Background:

• Controlling the crystallization of metastable polymorphs is crucial for material properties.
• Isomorphous templating offers a potential route for targeted polymorph synthesis.
• Previous methods for inducing specific polymorph crystallization were limited.

Purpose of the Study:

• To develop and demonstrate a novel method for inducing the crystallization of metastable polymorphs using isomorphous templating.
• To investigate the crystallization behavior of carbamazepine V (CBZ-V) on DHC-II single crystals.
• To explore the general applicability of this templating approach for synthesizing new polymorphs.

Main Methods:

• Isomorphous templating was employed to guide crystal growth.
• Carbamazepine V (CBZ-V) crystallization was studied on DHC-II single crystal surfaces.
• Computational methods inspired the crystallization approach.
• A new polymorph of cyheptamide was synthesized and characterized.

Main Results:

• The isomorphous templating method successfully reproduced the crystallization of CBZ-V on DHC-II.
• CBZ-V crystals exhibited lateral and vertical growth on DHC-II surfaces with no significant face selectivity.
• The first crystals of a novel cyheptamide polymorph were successfully produced.
• The new cyheptamide polymorph is isomorphous to both DHC-II and CBZ-V.

Conclusions:

• Isomorphous templating is an effective strategy for inducing the crystallization of metastable polymorphs.
• This method provides a versatile approach for controlling crystal growth and synthesizing new polymorphic forms.
• The successful synthesis of a new cyheptamide polymorph highlights the broad applicability of this technique.