
TY  - JOUR
A1  - Storoniak, Piotr 
A1  - Krzyminski, Karol 
A1  - Dokurno, Pawel 
A1  - Konitz, Antoni 
A1  - Blazejowski, Jerzy 
T1  - Crystal structure and lattice energetics of 10-methylacridinium halides
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 2000
VL  - 53
IS  - 8
SP  - 627
EP  - 633
KW  - 10-Methylacridinium halides; synthesis; X-ray crystallography; lattice energetics; thermochemistry.
UR  - https://doi.org/10.1071/CH00026 
N2  - The crystal structures of 10-methylacridinium chloride monohydrate, bromide monohydrate and iodide were determined by X-ray analysis. The compounds crystallize in the triclinic space group, P&#175;1, with 2 molecules in the unit cell. The molecular arrangement in the crystals revealed that hydrogen bonds (in hydrates) and van der Waals contacts play a significant part in intermolecular interactions. To discover their nature, contributions to the crystal lattice energy arising from electrostatic (the most important since the compounds form ionic crystals), dispersive and repulsive interactions were calculated. Enthalpies of formation of the salts, their stability and susceptibility to decomposition could be predicted from a combination of crystal lattice energies with values of other thermochemical characteristics obtained theoretically or taken from the literature. The role of water in the stabilization of the crystal lattice of the hydrates is also explained. The information gathered has given an insight into the features and behaviour of compounds which can be regarded as models of a large group of aromatic quaternary nitrogen salts. 
ER  -

