Premium
Crystallization of chiral molecular compounds: what can be learned from the Cambridge Structural Database?
Author(s) -
Rekis Toms
Publication year - 2020
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520620003601
Subject(s) - enantiomer , crystallization , chemistry , similarity (geometry) , database , crystallography , molecular conformation , combinatorial chemistry , stereochemistry , molecule , organic chemistry , computer science , artificial intelligence , image (mathematics)
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.