The x-ray crystal and mol. structure of (p-O2NC6H4NMe)2CO (I) and the [2,4-(O2N)2C6H3NMe]2CO (II) were detd. The benzene rings in I were anti to the carbonyl O atom and the benzene rings in II were syn to the carbonyl O atom. The 200 MHz PMR of II in CO3CN or (CO3)2CO at -30 to +35° indicated that the crystal conformation existed as the only soln. stable conformation. The soln. conformation of I was also the same as the crystal conformation. I, II, and (PhNEt)2CO existed in both soln. and cryst. phases as the conformation in which the amide groups were distorted from planarity with concomitant dehydrocyclization of the N atoms from the trigonal to the tetrahedral shape. [on SciFinder(R)]
Conformation of substituted arylureas. Crystal structures of N,N'-dimethyl-N,N'-di(p-nitrophenyl)urea and N,N'-dimethyl-N,N'-di(2,4-dinitrophenyl)urea / Lepore, Ugo; G. C., Lepore; P., Ganis; G., Germain; M., Goodman; Castronuovo, Giuseppina. - In: JOURNAL OF ORGANIC CHEMISTRY. - ISSN 0022-3263. - STAMPA. - 41:(1976), pp. 2134-7.
Conformation of substituted arylureas. Crystal structures of N,N'-dimethyl-N,N'-di(p-nitrophenyl)urea and N,N'-dimethyl-N,N'-di(2,4-dinitrophenyl)urea
LEPORE, UGO;CASTRONUOVO, GIUSEPPINA
1976
Abstract
The x-ray crystal and mol. structure of (p-O2NC6H4NMe)2CO (I) and the [2,4-(O2N)2C6H3NMe]2CO (II) were detd. The benzene rings in I were anti to the carbonyl O atom and the benzene rings in II were syn to the carbonyl O atom. The 200 MHz PMR of II in CO3CN or (CO3)2CO at -30 to +35° indicated that the crystal conformation existed as the only soln. stable conformation. The soln. conformation of I was also the same as the crystal conformation. I, II, and (PhNEt)2CO existed in both soln. and cryst. phases as the conformation in which the amide groups were distorted from planarity with concomitant dehydrocyclization of the N atoms from the trigonal to the tetrahedral shape. [on SciFinder(R)]I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
