X-ray analysis and spectral data of ?-[N-phenyl,N-(??-bromo-cinnamoyl)-amino]-cinnamanilide reveal the course of reaction of benzoylacetanilide with POBr3

Autor:	B. Stec, P. Serda, M. Ciechanowicz-Rutkowska, A. Kolasa
Rok vydání:	1991
Předmět:	General Chemistry Nuclear magnetic resonance spectroscopy Crystal structure Condensed Matter Physics chemistry.chemical_compound Crystallography chemistry Structural Biology X-ray crystallography Proton NMR Molecule Orthorhombic crystal system Enone Spectroscopy Organometallic chemistry
Zdroj:	Journal of Crystallographic and Spectroscopic Research. 21:365-373
ISSN:	1572-8854 0277-8068
DOI:	10.1007/bf01156090
Popis:	The reaction of benzoylacetanilide with the excess of POBr3 furnished monomolecular products and the bimolecularβ-[N-phenyl,N-(β-bromo-cinnamoyl)-amino]-cinnamanilide. Its structure was elucidated by means of elemental analysis, IR,1H NMR and mass spectral data as well as X-ray analysis, which proved that the reaction mentioned goes via condensation. C30H23BrN2O2 crystallizes with two independent molecules in an asymmetric unit in the orthorhombic space groupP212121 witha3=9.834(3),b=19.614(2),c=26.450(6) A,Z=8,V=5101(4) A3,Dm=1.34,Dx=1.36 mg m−3,F(000)=2151,Mr=523.107,μ=2.25 mm−1, λ (CuKα)=1.54178 A,T=293 K; the finalR factor was 0.067.
Databáze:	OpenAIRE
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