"Higher density does not mean higher stability" mystery of paracetamol finally unraveled.
Topological analysis of the experimental electron density distribution functions for two polymorphs of paracetamol showed that strong H-bonds are responsible for the higher stability of crystal phase I, weak interactions for the higher density of phase II. This made it possible to finally resolve the contradiction between the relative stabilities and the densities of the two paracetamol polymorphs.
Nelyubina
Yulia V
YV
A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Vavilov Str., 28, Moscow, Russia.
Glukhov
Ivan V
IV
Antipin
Mikhail Yu
MY
Lyssenko
Konstantin A
KA
D000082:Acetaminophen / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004583:Electrons; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011108:Polymers / Q000737:chemistry*
D011108:Polymers; D000082:Acetaminophen