Crystallographic and theoretical investigations of the preferred conformations of three isomeric N-acetyl-dihydro-oxadiazoles

Journal of Molecular Structure

Volumn 561, Issue 1-3, 2001, Pages 29-41

  Carpenter, G B ^a   Ventura, E ^b   De Morais, L P F ^b   Srivastava, R M ^b   Simas, A M ^b   Faure, R ^c  

^a BROWN UNIVERSITY   (United States)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^c UNIVERSITÉ LYON 1   (France)

Author keywords

B3LYP 6 31G(d) basis set; Conformation; Crystallography; MO calculations; N Acetyl dihydro 1,2,4 oxadiazo les

Indexed keywords

OXADIAZOLE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL STRUCTURE; DENSITY; ISOMER; X RAY CRYSTALLOGRAPHY;

EID: 0035849156     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(00)00852-8     Document Type: Article

References (16)