Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(R,S)-(4-nitrophenyl)-5(S)-(propan-2-yl)imidazolidin-4-one.

Autor:	Gomes, Ligia R., Low, John Nicolson, Wardell, James L., de Souza, Marcus V. N., da Costa, Cristiane F.
Předmět:	SURFACE analysis CRYSTAL structure PIXELS MIXTURES HYDROGEN bonding BENZALDEHYDE NITROALDOL reactions
Zdroj:	Acta Crystallographica Section E: Crystallographic Communications; Nov2019, Vol. 75 Issue 11, p1774-1782, 19p
Abstrakt:	A 1:1 epimeric mixture of 3-[(4-nitro­benzyl­idene)amino]-2(R,S)-(4-nitro­phen­yl)-5(S)-(propan-2-yl)imidazolidin-4-one, C19H19N5O5, was isolated from a reaction mixture of 2(S)-amino-3-methyl-1-oxo­butane­hydrazine and 4-nitro­benz­alde­hyde in ethanol. The product was derived from an initial reaction of 2(S)-amino-3-methyl-1-oxo­butane­hydrazine at its hydrazine group to provide a 4-nitro­benzyl­idene derivative, followed by a cyclization reaction with another mol­ecule of 4-nitro­benzaldehyde to form the chiral five-membered imidazolidin-4-one ring. The formation of the five-membered imidazolidin-4-one ring occurred with retention of the configuration at the 5-position, but with racemization at the 2-position. In the crystal, N—H∙∙∙O(nitro) hydrogen bonds, weak C—H∙∙∙O(carbon­yl) and C—H∙∙∙O(nitro) hydrogen bonds, as well as C—H∙∙∙π, N—H∙∙∙π and π–π inter­actions, are present. These combine to generate a three-dimensional array. Hirshfeld surface analysis and PIXEL calculations are also reported. [ABSTRACT FROM AUTHOR]
Databáze:	Complementary Index
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