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1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis
The title compound, C(23)H(21)N(3)O(2), is constructed about an almost planar disubstituted aminourea residue (r.m.s. deviation = 0.0201 Å), which features an intramolecular amine-N—H⋯N(imine) hydrogen bond. In the ‘all-trans’ chain connecting this to the terminal methoxybenzene residue, the con...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683474/ https://www.ncbi.nlm.nih.gov/pubmed/29152334 http://dx.doi.org/10.1107/S2056989017014128 |
Sumario: | The title compound, C(23)H(21)N(3)O(2), is constructed about an almost planar disubstituted aminourea residue (r.m.s. deviation = 0.0201 Å), which features an intramolecular amine-N—H⋯N(imine) hydrogen bond. In the ‘all-trans’ chain connecting this to the terminal methoxybenzene residue, the conformation about each of the imine and ethylene double bonds is E. In the crystal, amide-N—H⋯O(carbonyl) hydrogen bonds connect centrosymmetrically related molecules into dimeric aggregates, which also incorporate ethylene-C—H⋯O(amide) interactions. The dimers are linked by amine–phenyl-C—H⋯π(imine–phenyl) and methoxybenzene-C—H⋯π(amine–phenyl) interactions to generate a three-dimensional network. The importance of C—H⋯π interactions in the molecular packing is reflected in the relatively high contributions made by C⋯H/H⋯C contacts to the Hirshfeld surface, i.e. 31.6%. |
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