5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate

The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol­ecules and a solvent water mol­ecule in the asymmetric unit. Each of the two independent mol­ecules is close to being planar (the dihedral angles between the...

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Detalles Bibliográficos
Autores principales: Li, Jun-Hai, Sun, Gang-Chun, Mague, Joel T., Xie, Jing-Xi
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969607/
https://www.ncbi.nlm.nih.gov/pubmed/21583252
http://dx.doi.org/10.1107/S1600536809018571
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author Li, Jun-Hai
Sun, Gang-Chun
Mague, Joel T.
Xie, Jing-Xi
author_facet Li, Jun-Hai
Sun, Gang-Chun
Mague, Joel T.
Xie, Jing-Xi
author_sort Li, Jun-Hai
collection PubMed
description The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol­ecules and a solvent water mol­ecule in the asymmetric unit. Each of the two independent mol­ecules is close to being planar (the dihedral angles between the indole ring systems are approximately 9 and 12°) and each exists in the keto–enol form. There is an intra­molecular O—H⋯O hydrogen bond between the keto and enol groups. In the crystal, the components interact by way of N—H⋯N, N—H⋯O and O—H⋯O hydrogen bonds.
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spelling pubmed-29696072010-12-30 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate Li, Jun-Hai Sun, Gang-Chun Mague, Joel T. Xie, Jing-Xi Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(23)H(18)N(2)O(2)·0.5H(2)O, a derivative of the biologically active compound curcumin, crystallizes with two organic mol­ecules and a solvent water mol­ecule in the asymmetric unit. Each of the two independent mol­ecules is close to being planar (the dihedral angles between the indole ring systems are approximately 9 and 12°) and each exists in the keto–enol form. There is an intra­molecular O—H⋯O hydrogen bond between the keto and enol groups. In the crystal, the components interact by way of N—H⋯N, N—H⋯O and O—H⋯O hydrogen bonds. International Union of Crystallography 2009-05-29 /pmc/articles/PMC2969607/ /pubmed/21583252 http://dx.doi.org/10.1107/S1600536809018571 Text en © Li 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
Li, Jun-Hai
Sun, Gang-Chun
Mague, Joel T.
Xie, Jing-Xi
5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title_full 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title_fullStr 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title_full_unstemmed 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title_short 5-Hydr­oxy-1,7-bis­(1H-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
title_sort 5-hydr­oxy-1,7-bis­(1h-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969607/
https://www.ncbi.nlm.nih.gov/pubmed/21583252
http://dx.doi.org/10.1107/S1600536809018571
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AT sungangchun 5hydroxy17bis1hindol3ylhepta146trien3onehemihydrate
AT maguejoelt 5hydroxy17bis1hindol3ylhepta146trien3onehemihydrate
AT xiejingxi 5hydroxy17bis1hindol3ylhepta146trien3onehemihydrate

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