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N-{(1E)-Amino­[3-methyl-5-(4-methyl­phenyl)-4,5-di­hydro-1H-pyrazol-1-yl]­methyl­ene}-1H-imidazole-1-carbox­amide by Viktor Kettmann; Jan Světlík; Jiří Kubišta is a Chemistry article available to read on EtoBox.

What is N-{(1E)-Amino­[3-methyl-5-(4-methyl­phenyl)-4,5-di­hydro-1H-pyrazol-1-yl]­methyl­ene}-1H-imidazole-1-carbox­amide about?

In the title compound, C(16)H(18)N(6)O, an N-carbonylimidazole derivative of pyrazoline-1-carboximidamide, the pi-electron density of the N atom in the 1-position on the pyrazoline ring is delocalized through the amidine moiety and the adjacent carbonyl group. The imidazole ring, though coplanar with the rest of the molecule, is deconjugated. The pyrazoline ring adopts a flat-envelope conformation, having the substituted phenyl ring oriented perpendicular to the mean plane of the heterocycle. Both of the two potential hydrogen-bond donors are involved in intramolecular hydrogen-bonding interactions.

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Author

Viktor Kettmann; Jan Světlík; Jiří Kubišta

Publisher

International Union of Crystallography; Blackwell Publishing Inc.; International Union of Crystallography (IUCr); Wiley (ISSN 0108-2701)

Published

2004

Language

EN

Field

Chemistry (Physical Sciences)