(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:
Organic Papers
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
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author Aree, Thammarat
Surerum, Sanya
Ngamrojanavanich, Nattaya
Kittakoop, Prasat
author_facet Aree, Thammarat
Surerum, Sanya
Ngamrojanavanich, Nattaya
Kittakoop, Prasat
author_sort Aree, Thammarat
collection PubMed
description 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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spelling pubmed-29702842010-12-30 (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) Aree, Thammarat Surerum, Sanya Ngamrojanavanich, Nattaya Kittakoop, Prasat Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2009-09-16 /pmc/articles/PMC2970284/ /pubmed/21577923 http://dx.doi.org/10.1107/S1600536809036277 Text en © Aree et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Aree, Thammarat
Surerum, Sanya
Ngamrojanavanich, Nattaya
Kittakoop, Prasat
(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)
title (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)
title_full (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)
title_fullStr (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)
title_full_unstemmed (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)
title_short (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)
title_sort (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)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970284/
https://www.ncbi.nlm.nih.gov/pubmed/21577923
http://dx.doi.org/10.1107/S1600536809036277
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AT ngamrojanavanichnattaya e247trichloro3hydroxy8methoxy19dimethyl61methyl1propenyl11hdibenzobe14dioxepin11onemonohydratenidulinmonohydrate
AT kittakoopprasat e247trichloro3hydroxy8methoxy19dimethyl61methyl1propenyl11hdibenzobe14dioxepin11onemonohydratenidulinmonohydrate

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