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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...

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Detalles Bibliográficos
Autores principales: Aree, Thammarat, Surerum, Sanya, Ngamrojanavanich, Nattaya, Kittakoop, Prasat
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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
Descripción
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.