TY - JOUR
T1 - Diversity in a simple co-crystal
T2 - Racemic and kryptoracemic behaviour
AU - Rao Khandavilli, U. B.
AU - Lusi, Matteo
AU - Bhogala, Balakrishna R.
AU - Maguire, Anita R.
AU - Stein, Matthias
AU - Lawrence, Simon E.
N1 - Publisher Copyright:
© The Royal Society of Chemistry 2016.
PY - 2016
Y1 - 2016
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84976293637&partnerID=8YFLogxK
U2 - 10.1039/c6cc04148e
DO - 10.1039/c6cc04148e
M3 - Article
AN - SCOPUS:84976293637
SN - 1359-7345
VL - 52
SP - 8309
EP - 8312
JO - Chemical Communications
JF - Chemical Communications
IS - 53
ER -