Crystallization of chiral molecular compounds: what can be learned from the Cambridge Structural Database?. Issue 3 (15th April 2020)

• Record Type: Journal Article
• Authors: Rekis, Toms
• Is Part Of: Acta crystallographica. Volume 76:Issue 3(2020:Jun.)
• Page Start: 307
• Page End: 315
• Publication Date: 2020-04-15
• Subjects: chiral compounds -- conglomerates -- enantiomer solid solutions -- space group frequency -- kryptoracemates
• DOI: 10.1107/S2052520620003601
• Languages: English
• ISSNs: 2052-5206

Abstract

Abstract : A study on chiral monomolecular compound structures found in the Cambridge Structural Database is presented. Abstract : A detailed study on chiral compound structures found in the Cambridge Structural Database (CSD) is presented. Solvates, salts and co‐crystals have intentionally been excluded, in order to focus on the most basic structures of single enantiomers, scalemates and racemates. Similarity between the latter and structures of achiral monomolecular compounds has been established and utilized to arrive at important conclusions about crystallization of chiral compounds. For example, the fundamental phenomenon of conglomerate formation and, in particular, their frequency of occurrence is addressed. In addition, rarely occurring kryptoracemates and scalemic compounds (anomalous racemates) are discussed. Finally, an extended search of enantiomer solid solutions in the CSD is performed to show that there are up to 1800 instances most probably hiding among the deposited crystal structures, while only a couple of dozen have been previously known and studied.