Diversity in a simple co-crystal: racemic and kryptoracemic behaviour.
The crystal structure containing (±)-3-methyl-2-phenylbutyramide with salicylic acid is the first example of a kryptoracemate co-crystal. It exhibits the first temperature mediated reversible single-crystal to single-crystal transition between two kryptoracemate forms, in addition to crystallising in another, racemic, form. Theoretical calculations and structural analysis reveal that there are only small differences in both energy and packing arrangements between the three forms. These results suggest that co-crystals can be an opportunity to investigate kryptoracemate behaviour.
Department of Chemistry, Analytical and Biological Chemistry Research Facility, Synthesis and Solid State Pharmaceutical Centre, University College Cork, Ireland. simon.lawrence@ucc.ie.
U B
UB
Rao Khandavilli
Matteo
M
Lusi
Balakrishna R
BR
Bhogala
Anita R
AR
Maguire
Matthias
M
Stein
Simon E
SE
Lawrence