Pregled bibliografske jedinice broj: 838611
On the predictability of supramolecular interactions in molecular cocrystals – the view from the bench
On the predictability of supramolecular interactions in molecular cocrystals – the view from the bench // Crystengcomm, 18 (2016), 29; 5434-5439 doi:10.1039/c6ce00293e (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 838611 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On the predictability of supramolecular interactions in molecular cocrystals – the view from the bench
Autori
Corpinot, Mérina K. ; Stratford, Samuel A. ; Arhangelskis, Mihails ; Anka-Lufford, Jodie ; Halasz, Ivan ; Judaš, Nenad ; Jones, William ; Bučar, Dejan-Krešimir
Izvornik
Crystengcomm (1466-8033) 18
(2016), 29;
5434-5439
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
cocrystal ; supramolecular synthon ; fluorobenzoic acid ; theophylline
Sažetak
A series of theophylline cocrystals involving fluorobenzoic acids was prepared and structurally characterised. The cocrystals display compositions and hydrogen-bond patterns that could not be predicted based on extensive literature/database surveys and the use of other tools. The study demonstrates that – without the use of first-principles crystal structure prediction methods – it is still remarkably difficult to predict and understand the outcomes of cocrystallisation attempts involving small and rigid molecules.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb
Citiraj ovu publikaciju:
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
