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(1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one

There are two crystallographically independent mol­ecules in the asymmetric unit of the title bis­chalcone derivative, C(23)H(26)O(7). The mol­ecules are unsymmetrical and almost planar: the dihedral angle between two benzene rings is 1.04 (7)° in one mol­ecule and 2.31 (7)° in the other. The centra...

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Autores principales: Ruanwas, Pumsak, Chantrapromma, Suchada, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050352/
https://www.ncbi.nlm.nih.gov/pubmed/21522745
http://dx.doi.org/10.1107/S1600536810049299
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author Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
author_facet Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
author_sort Ruanwas, Pumsak
collection PubMed
description There are two crystallographically independent mol­ecules in the asymmetric unit of the title bis­chalcone derivative, C(23)H(26)O(7). The mol­ecules are unsymmetrical and almost planar: the dihedral angle between two benzene rings is 1.04 (7)° in one mol­ecule and 2.31 (7)° in the other. The central penta-1,4-dien-3-one fragment makes dihedral angles of 7.61 (7) and 6.82 (7)° with the two adjacent benzene rings in one mol­ecule, while the corresponding values are 7.85 (7) and 9.42 (6)° in the other. In both mol­ecules, the three meth­oxy groups of the two 2,4,6-trimeth­oxy­phenyl units are coplanar with the attached benzene rings [C—O—C—C- torsion angles of −1.5 (2), −7.2 (2) and 4.1 (2)° in one mol­ecule and −0.7 (2), −5.5 (2) and −0.6 (2)° in the other]. The mol­ecular conformations are stabilized by weak intra­molecular C—H⋯O inter­actions generating two S(6) ring motifs. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O inter­actions into zigzag chains parallel to the c axis. The crystal structure is further stabilized by C—H⋯π inter­actions and π–π inter­actions with centroid–centroid distances of 3.6433 (8) Å.
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spelling pubmed-30503522011-04-26 (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one Ruanwas, Pumsak Chantrapromma, Suchada Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two crystallographically independent mol­ecules in the asymmetric unit of the title bis­chalcone derivative, C(23)H(26)O(7). The mol­ecules are unsymmetrical and almost planar: the dihedral angle between two benzene rings is 1.04 (7)° in one mol­ecule and 2.31 (7)° in the other. The central penta-1,4-dien-3-one fragment makes dihedral angles of 7.61 (7) and 6.82 (7)° with the two adjacent benzene rings in one mol­ecule, while the corresponding values are 7.85 (7) and 9.42 (6)° in the other. In both mol­ecules, the three meth­oxy groups of the two 2,4,6-trimeth­oxy­phenyl units are coplanar with the attached benzene rings [C—O—C—C- torsion angles of −1.5 (2), −7.2 (2) and 4.1 (2)° in one mol­ecule and −0.7 (2), −5.5 (2) and −0.6 (2)° in the other]. The mol­ecular conformations are stabilized by weak intra­molecular C—H⋯O inter­actions generating two S(6) ring motifs. In the crystal, mol­ecules are linked by weak inter­molecular C—H⋯O inter­actions into zigzag chains parallel to the c axis. The crystal structure is further stabilized by C—H⋯π inter­actions and π–π inter­actions with centroid–centroid distances of 3.6433 (8) Å. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050352/ /pubmed/21522745 http://dx.doi.org/10.1107/S1600536810049299 Text en © Ruanwas et al. 2011 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
Ruanwas, Pumsak
Chantrapromma, Suchada
Fun, Hoong-Kun
(1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title_full (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title_fullStr (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title_full_unstemmed (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title_short (1E,4E)-1,5-Bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
title_sort (1e,4e)-1,5-bis(2,4,6-trimeth­oxy­phen­yl)penta-1,4-dien-3-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050352/
https://www.ncbi.nlm.nih.gov/pubmed/21522745
http://dx.doi.org/10.1107/S1600536810049299
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