On the structure of 3-acetylamino-5-methyl-1,2,4-oxadiazole and on the fully degenerate rearrangements (FDR) of its anion: A stimulating comparison between the results of 'in-silicon chemistry' and 'laboratory chemistry'

Journal of Physical Organic Chemistry

Volumn 22, Issue 11, 2009, Pages 1086-1093

  Mugnoli, Angelo ^a   Barone, Giampaolo ^b   Buscemi, Silvestre ^b   Lanza, Camilla Zaira ^c   Pace, Andrea ^b   Pani, Marcella ^a   Spinelli, Domenico ^c  

^a UNIVERSITY OF GENOA   (Italy)

^b UNIVERSITY OF PALERMO   (Italy)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Azole to azole interconversion; Boulton katritzky reactions; Density functional calculations; Rearrangements; X ray diffraction

Indexed keywords

AMIDO GROUPS; AZOLE-TO-AZOLE INTERCONVERSION; BOULTON-KATRITZKY REACTIONS; CRYSTAL STRUCTURE DETERMINATION; DENSITY FUNCTIONAL CALCULATIONS; DFT CALCULATION; GASPHASE; NUCLEOPHILIC SUBSTITUTIONS; OXADIAZOLE RINGS; OXADIAZOLES; PLANAR CONFORMATIONS; QUANTUM MECHANICAL; QUANTUM-MECHANICAL CALCULATION; REARRANGEMENTS; SIDE CHAINS; SILICON CHEMISTRY;

DENSITY FUNCTIONAL THEORY; DIFFRACTION; DIMETHYL SULFOXIDE; HYDROGEN BONDS; ORGANIC SOLVENTS; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 71049180349     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1563     Document Type: Article

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