Abstract
A set of 50 crystal structures containing the molecule carbamazepine (CBZ) have been analyzed using the Materials module within Mercury CSD 2.0. The similarity relationships between all 50 structures were determined based on the analysis of packing motifs. Packing motifs that define the similarity relationships within three separate groups of structures were found to be exclusive to a particular group. The carboxamide homodimer found in all four of the carbamazepine polymorphs is seen to be disfavored compared to the carboxamide−carboxylic acid heterodimer when a coformer molecule with a carboxylic acid group is present. Etter’s rules are found to be broken in a large percentage of the CBZ structures (24%) compared to the overall CSD statistics (2.5%), apparently due to steric hindrance caused by the dibenzazepine group. A group of 14 similar structures has been identified containing ordered or disordered coformer-filled channels. Thirteen new crystal structures containing CBZ and pharmaceutically relevan...
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
