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(E)-2,4,7-Trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methyl-1-propenyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one monohydrate (nidulin monohydrate)
In the title compound, C(20)H(17)Cl(3)O(5)·H(2)O, the nidulin molecule consists of three rings, the folded central dioxepin-11-one ring being fused on both sides to phenyl rings. The molecular structure is stabilized by intramolecular O—H⋯Cl and C—H⋯Cl hydrogen bonds that generate S(6) ring motif...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970284/ https://www.ncbi.nlm.nih.gov/pubmed/21577923 http://dx.doi.org/10.1107/S1600536809036277 |
Sumario: | In the title compound, C(20)H(17)Cl(3)O(5)·H(2)O, the nidulin molecule consists of three rings, the folded central dioxepin-11-one ring being fused on both sides to phenyl rings. The molecular structure is stabilized by intramolecular O—H⋯Cl and C—H⋯Cl hydrogen bonds that generate S(6) ring motifs. The crystal structure is stabilized by intermolecular O—H⋯O and O—H⋯(O,O) hydrogen bonds mediated by two inversion-related water molecules, generating R (4) (2)(8) ring and C (2) (2)(4) chain motifs. Weak intermolecular Cl⋯O halogen bonds are also present with Cl⋯O distances of 3.071 (1) and 3.182 (2) Å. |
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