(2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate

In the title structure, C(21)H(20)O(5)·C(2)H(5)OH, the curcumine-type mol­ecule has a double E conformation for the two benzyl­idene double bonds [C=C = 1.342 (4) and 1.349 (4) Å] and is nearly planar with respect to the non-H atoms (r.m.s. deviation from planarity = 0.069 Å). The two phenolic OH gr...

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Autores principales: Da’i, Muhammad, Yanuar, Arry, Meiyanto, Edy, Jenie, Umar Anggara, Supardjan, Amir Margono
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629584/
https://www.ncbi.nlm.nih.gov/pubmed/23634071
http://dx.doi.org/10.1107/S1600536813005229
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author Da’i, Muhammad
Yanuar, Arry
Meiyanto, Edy
Jenie, Umar Anggara
Supardjan, Amir Margono
author_facet Da’i, Muhammad
Yanuar, Arry
Meiyanto, Edy
Jenie, Umar Anggara
Supardjan, Amir Margono
author_sort Da’i, Muhammad
collection PubMed
description In the title structure, C(21)H(20)O(5)·C(2)H(5)OH, the curcumine-type mol­ecule has a double E conformation for the two benzyl­idene double bonds [C=C = 1.342 (4) and 1.349 (4) Å] and is nearly planar with respect to the non-H atoms (r.m.s. deviation from planarity = 0.069 Å). The two phenolic OH groups form bifurcated hydrogen bonds with intra­molecular branches to adjacent meth­oxy O atoms and inter­molecular branches to either a neighbouring mol­ecule or an ethanol solvent mol­ecule. The ethanol O atom donates a hydrogen bond to the keto O atom. These hydrogen bonds link the constituents into layers parallel to (101) in the crystal structure.
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spelling pubmed-36295842013-04-30 (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate Da’i, Muhammad Yanuar, Arry Meiyanto, Edy Jenie, Umar Anggara Supardjan, Amir Margono Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title structure, C(21)H(20)O(5)·C(2)H(5)OH, the curcumine-type mol­ecule has a double E conformation for the two benzyl­idene double bonds [C=C = 1.342 (4) and 1.349 (4) Å] and is nearly planar with respect to the non-H atoms (r.m.s. deviation from planarity = 0.069 Å). The two phenolic OH groups form bifurcated hydrogen bonds with intra­molecular branches to adjacent meth­oxy O atoms and inter­molecular branches to either a neighbouring mol­ecule or an ethanol solvent mol­ecule. The ethanol O atom donates a hydrogen bond to the keto O atom. These hydrogen bonds link the constituents into layers parallel to (101) in the crystal structure. International Union of Crystallography 2013-03-13 /pmc/articles/PMC3629584/ /pubmed/23634071 http://dx.doi.org/10.1107/S1600536813005229 Text en © Da'i et al. 2013 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
Da’i, Muhammad
Yanuar, Arry
Meiyanto, Edy
Jenie, Umar Anggara
Supardjan, Amir Margono
(2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title_full (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title_fullStr (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title_full_unstemmed (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title_short (2E,5E)-2,5-Bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
title_sort (2e,5e)-2,5-bis(4-hy­droxy-3-meth­oxy­benzyl­idene)cyclo­penta­none ethanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629584/
https://www.ncbi.nlm.nih.gov/pubmed/23634071
http://dx.doi.org/10.1107/S1600536813005229
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