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4,4′-Dimethoxy-2,2′-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol
The title compound, C(23)H(30)N(2)O(4), is a Mannich base useful for studying the effect of an electron-donating phenol substituent on intramolecular hydrogen bonding. In the molecular structure, the cyclohexane ring adopts a chair conformation and the five-membered ring has a twisted envelope co...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200725/ https://www.ncbi.nlm.nih.gov/pubmed/22065834 http://dx.doi.org/10.1107/S1600536811031436 |
Sumario: | The title compound, C(23)H(30)N(2)O(4), is a Mannich base useful for studying the effect of an electron-donating phenol substituent on intramolecular hydrogen bonding. In the molecular structure, the cyclohexane ring adopts a chair conformation and the five-membered ring has a twisted envelope conformation. Each methoxy group is oriented in the same plane of the respective aromatic ring, showing torsion angles below 11.8 (3)° and bond angles between the methoxy group and the aromatic ring of 116.6 (2) and 116.6 (1)°. The structure shows interactions between two the N atoms of the heterocyclic ring and the hydroxy groups by intramolecular O—H⋯N hydrogen-bonding interactions. In the crystal, C—H⋯O interactions are observed. The crystal studied was a racemic mixture of RR and SS enantiomers. |
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