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Pregled bibliografske jedinice broj: 400959

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


Milić, Dalibor; Alešković, Marija; Matković-Čalogović, Dubravka; Mlinarić-Majerski, Kata
(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate // Croatica Chemica Acta, 82 (2009), 4; 833-839 (međunarodna recenzija, članak, znanstveni)


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

Autori
Milić, Dalibor ; Alešković, Marija ; Matković-Čalogović, Dubravka ; Mlinarić-Majerski, Kata

Izvornik
Croatica Chemica Acta (0011-1643) 82 (2009), 4; 833-839

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

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

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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
098-0982933-2911 - Kavezasti spojevi: ugradbene jedinice u molekularnim sustavima (Kata Majerski, )
119-1193079-1084 - Strukturno istraživanje bioloških makromolekula metodom rentgenske difrakcije (Dubravka Matković-Čalogović, )

Ustanove
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Citiraj ovu publikaciju

Milić, Dalibor; Alešković, Marija; Matković-Čalogović, Dubravka; Mlinarić-Majerski, Kata
(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate // Croatica Chemica Acta, 82 (2009), 4; 833-839 (međunarodna recenzija, članak, znanstveni)
Milić, D., Alešković, M., Matković-Čalogović, D. & 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.
@article{article, year = {2009}, pages = {833-839}, keywords = {adamantane, (1-adamantyl)methyl esters, X-ray diffraction analysis, whole-molecule disorder, stacking disorder, diffuse scattering}, journal = {Croatica Chemica Acta}, volume = {82}, number = {4}, issn = {0011-1643}, title = {(1-Adamantyl)methyl esters: whole-molecule disorder in the crystal structure of (1-adamantyl)methyl-1-adamantanecarboxylate}, keyword = {adamantane, (1-adamantyl)methyl esters, X-ray diffraction analysis, whole-molecule disorder, stacking disorder, diffuse scattering} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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  • CA Search (Chemical Abstracts)