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(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one

In the title mol­ecule, C(14)H(9)BrO(3)S, the the prop-2-en-1-one (enone) fragment is close to planar [C—C—C—O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio­phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is...

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Autores principales: Harrison, William T. A., Chidan Kumar, C. S., Yathirajan, H. S., Ashalatha, B. V., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983118/
https://www.ncbi.nlm.nih.gov/pubmed/21587478
http://dx.doi.org/10.1107/S1600536810035129
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author Harrison, William T. A.
Chidan Kumar, C. S.
Yathirajan, H. S.
Ashalatha, B. V.
Narayana, B.
author_facet Harrison, William T. A.
Chidan Kumar, C. S.
Yathirajan, H. S.
Ashalatha, B. V.
Narayana, B.
author_sort Harrison, William T. A.
collection PubMed
description In the title mol­ecule, C(14)H(9)BrO(3)S, the the prop-2-en-1-one (enone) fragment is close to planar [C—C—C—O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio­phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C—H⋯O inter­actions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs.
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spelling pubmed-29831182010-12-30 (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one Harrison, William T. A. Chidan Kumar, C. S. Yathirajan, H. S. Ashalatha, B. V. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(14)H(9)BrO(3)S, the the prop-2-en-1-one (enone) fragment is close to planar [C—C—C—O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thio­phene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C—H⋯O inter­actions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs. International Union of Crystallography 2010-09-04 /pmc/articles/PMC2983118/ /pubmed/21587478 http://dx.doi.org/10.1107/S1600536810035129 Text en © Harrison et al. 2010 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
Harrison, William T. A.
Chidan Kumar, C. S.
Yathirajan, H. S.
Ashalatha, B. V.
Narayana, B.
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title_full (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title_fullStr (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title_full_unstemmed (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title_short (2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
title_sort (2e)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-2-thien­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983118/
https://www.ncbi.nlm.nih.gov/pubmed/21587478
http://dx.doi.org/10.1107/S1600536810035129
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