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(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate

Dalibor Milić ; Laboratory of General and Inorganic Chemistry, Department of Chemistry, Faculty of Science, Horvatovac 102a, 10000 Zagreb, Croatia
Marija Alešković ; Department of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, POB 180, 10002 Zagreb, Croatia
Dubravka Matković-Čalogović   ORCID icon orcid.org/0000-0003-4909-8312 ; Laboratory of General and Inorganic Chemistry, Department of Chemistry, Faculty of Science, Horvatovac 102a, 10000 Zagreb, Croatia
Kata Mlinarić-Majerski   ORCID icon orcid.org/0000-0001-6282-1662 ; Department of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, POB 180, 10002 Zagreb, Croatia

Puni tekst: engleski, pdf (3 MB) str. 833-839 preuzimanja: 1.118* citiraj
APA 6th Edition
Milić, D., Alešković, M., Matković-Čalogović, D. i Mlinarić-Majerski, K. (2009). (1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate. Croatica Chemica Acta, 82 (4), 833-839. Preuzeto s https://hrcak.srce.hr/45630
MLA 8th Edition
Milić, Dalibor, et al. "(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate." Croatica Chemica Acta, vol. 82, br. 4, 2009, str. 833-839. https://hrcak.srce.hr/45630. Citirano 08.03.2021.
Chicago 17th Edition
Milić, Dalibor, Marija Alešković, Dubravka Matković-Čalogović i Kata Mlinarić-Majerski. "(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate." Croatica Chemica Acta 82, br. 4 (2009): 833-839. https://hrcak.srce.hr/45630
Harvard
Milić, D., et al. (2009). '(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate', Croatica Chemica Acta, 82(4), str. 833-839. Preuzeto s: https://hrcak.srce.hr/45630 (Datum pristupa: 08.03.2021.)
Vancouver
Milić D, Alešković M, Matković-Čalogović D, Mlinarić-Majerski K. (1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate. Croatica Chemica Acta [Internet]. 2009 [pristupljeno 08.03.2021.];82(4):833-839. Dostupno na: https://hrcak.srce.hr/45630
IEEE
D. Milić, M. Alešković, D. Matković-Čalogović i K. Mlinarić-Majerski, "(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate", Croatica Chemica Acta, vol.82, br. 4, str. 833-839, 2009. [Online]. Dostupno na: https://hrcak.srce.hr/45630. [Citirano: 08.03.2021.]

Sažetak

Two (1-adamantyl)methyl esters, (1-adamantyl)methyl-1-adamantanecarboxylate (1) and bis[(1-adamantyl)methyl]-1,3-adamantanedicarboxylate (2) were prepared in good yields and characterized by spectroscopic methods. The structure of 1 was determined by single-crystal X-ray diffraction structural analysis. The structure shows two kinds of whole-molecule disorder: the ester molecule statistically occupies two different sites in the crystal asymmetric unit with occupancies of 95 and 5 % (positional disorder), and at each of the sites there is additional disorder over a crystallographic 2-fold rotation axis (orientational disorder). Analysis of diffuse scattering patterns in the diffraction images revealed the positional disorder as stacking disorder of molecular layers with two-dimensional translational symmetry. In the absence of other, more directional interactions, the molecules in the crystal structure of 1 are held together only by van der Waals interactions which provide the rationale for the observed whole-molecule disorder.

Ključne riječi
adamantane; (1-adamantyl)methyl esters; X-ray diffraction analysis; whole-molecule disorder; stacking disorder; diffuse scattering

Hrčak ID: 45630

URI
https://hrcak.srce.hr/45630

Posjeta: 1.405 *