Premium
Synthesis, Structure, and Physicochemical Studies of Hexakis(2,4‐dimethylanilinium) Cyclohexaphosphate Hexahydrate
Author(s) -
Khedhiri Lamia,
Nasr Cherif Ben,
Rzaigui Mohamed,
Lefebre Frederic
Publication year - 2003
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.200390216
Subject(s) - chemistry , monoclinic crystal system , crystallography , crystal structure , molecule , ring (chemistry) , hydrogen bond , crystal (programming language) , stereochemistry , organic chemistry , computer science , programming language
Chemical preparation, crystal structure, thermal analysis, IR absorption, and NMR studies are given for a new organic cyclohexaphosphate, the hexakis(2,4‐dimethylanilinium) cyclohexaphosphate hexahydrate ((2,4‐Me 2 C 6 H 3 NH 3 ) 6 P 6 O 18 ⋅6 H 2 O). This compound crystallizes in the monoclinic space group P 2 1 / n , with cell parameters a =10.914(4) Å, b =11.198(3) Å, c =25.670(2) Å, β =95.05(4)°, Z =2, and V =3124(2) Å 3 . Its crystal structure is determined and refined to a final R =0.054 for 4627 independent reflections. The atomic arrangement can be described as a layer organization built by P 6 O 18 ‐ring anions and H 2 O molecules. Between these layers are located the organic groups that form H‐bonds with O‐atoms of the P 6 O 18 rings and H 2 O molecules. Determination of the geometric characteristics of the H‐bonds show the existence in this structure of four particularly strong H‐bonding contacts (1.75, 1.76, 1.78, and 1.87 Å).