Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione

The title compound, C(18)H(14)Cl(2)O(4), adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol­ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22 (14)°. The meth­oxy substituents lie close to the plane of the attached benzene rings. T...

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Detalles Bibliográficos
Autores principales: Tittal, Ram K., Kumar, Satish, Ram, R. N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186131/
https://www.ncbi.nlm.nih.gov/pubmed/25309219
http://dx.doi.org/10.1107/S1600536814018790
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author Tittal, Ram K.
Kumar, Satish
Ram, R. N.
author_facet Tittal, Ram K.
Kumar, Satish
Ram, R. N.
author_sort Tittal, Ram K.
collection PubMed
description The title compound, C(18)H(14)Cl(2)O(4), adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol­ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22 (14)°. The meth­oxy substituents lie close to the plane of the attached benzene rings. The C(ar)—C(ar)—O—C(Me) torsion angles are −2.4 (7) and 7.5 (6)°. Weak C—H⋯O inter­actions link the mol­ecules forming a three-dimensional network. The crystal packing also displays short [3.160 (3) Å] Cl⋯O halogen-bonding contacts between mol­ecules related by the screw axis. The structure exhibits disorder of one carbonyl O atom with a refined occupancy ratio of 0.21 (6):0.79 (6).
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spelling pubmed-41861312014-10-12 Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione Tittal, Ram K. Kumar, Satish Ram, R. N. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(18)H(14)Cl(2)O(4), adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol­ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22 (14)°. The meth­oxy substituents lie close to the plane of the attached benzene rings. The C(ar)—C(ar)—O—C(Me) torsion angles are −2.4 (7) and 7.5 (6)°. Weak C—H⋯O inter­actions link the mol­ecules forming a three-dimensional network. The crystal packing also displays short [3.160 (3) Å] Cl⋯O halogen-bonding contacts between mol­ecules related by the screw axis. The structure exhibits disorder of one carbonyl O atom with a refined occupancy ratio of 0.21 (6):0.79 (6). International Union of Crystallography 2014-08-23 /pmc/articles/PMC4186131/ /pubmed/25309219 http://dx.doi.org/10.1107/S1600536814018790 Text en © Tittal et al. 2014 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 Data Reports
Tittal, Ram K.
Kumar, Satish
Ram, R. N.
Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title_full Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title_fullStr Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title_full_unstemmed Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title_short Crystal structure of (Z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
title_sort crystal structure of (z)-2,3-di­chloro-1,4-bis­(4-meth­oxy­phen­yl)but-2-ene-1,4-dione
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186131/
https://www.ncbi.nlm.nih.gov/pubmed/25309219
http://dx.doi.org/10.1107/S1600536814018790
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