Whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate (CROSBI ID 546961)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | domaća recenzija
Podaci o odgovornosti
Milić, Dalibor ; Matković-Čalogović, Dubravka ; Alešković, Marija ; Mlinarić-Majerski, Kata
engleski
Whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate
Two adamantyl esters, 1-(adamantyl)methyl-1-adamantanecarboxylate (1) and bis(1-adamantyl)methyl-1, 3-adamantanedicarboxylate (2) were prepared and characterized by spectroscopic methods [1]. Esters 1 and 2 were prepared in good yield by coupling of the corresponding acid chloride and 1-(hydroxymethyl)-adamantane in the presence of 4-(dimethylamino)pyridine at room temperature. The structure of ester 1 has been determined by single-crystal X-ray diffraction. The solid-state structure of 1 in the orthorhombic space group Pbcn [a = 18.129(2) Å , b = 9.9360(4) Å , c = 9.9744(7) Å ] shows four-fold whole-molecule disorder. The ester molecule occupies one of the two different sites, and at each site there is additional disorder over a crystallographic 2-fold rotation axis passing almost through O2 atom. The ester molecules are held together only by van der Waals interactions. This, together with the symmetry and metrics of the unit cell, allows the ” misorientation” of molecules thus resulting in the observed whole-molecule disorder in the crystal structure of 1.
Whole-molecule disorder; crystal structure; X-ray diffraction
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
Podaci o prilogu
90-90.
2009.
objavljeno
Podaci o matičnoj publikaciji
XXI. hrvatski skup kemičara i kemijskih inženjera
Trogir:
978-953-6894-38-3
Podaci o skupu
XXI. Hrvatski skup kemičara i kemijskih inženjera
poster
19.07.2009-22.07.2009
Trogir, Hrvatska