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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2983118 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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