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Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene
In the cyclohexene ring of the title compound, C(23)H(20)BrNO(3)S, the –(CH(2))(4)– atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384575/ https://www.ncbi.nlm.nih.gov/pubmed/25878812 http://dx.doi.org/10.1107/S2056989015000195 |
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author | Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Glidewell, Christopher Byrappa, K. |
author_facet | Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Glidewell, Christopher Byrappa, K. |
author_sort | Kaur, Manpreet |
collection | PubMed |
description | In the cyclohexene ring of the title compound, C(23)H(20)BrNO(3)S, the –(CH(2))(4)– atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the molecule, there is an O—H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming chains parallel to [100]. |
format | Online Article Text |
id | pubmed-4384575 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43845752015-04-15 Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Glidewell, Christopher Byrappa, K. Acta Crystallogr E Crystallogr Commun Research Communications In the cyclohexene ring of the title compound, C(23)H(20)BrNO(3)S, the –(CH(2))(4)– atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the molecule, there is an O—H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming chains parallel to [100]. International Union of Crystallography 2015-01-17 /pmc/articles/PMC4384575/ /pubmed/25878812 http://dx.doi.org/10.1107/S2056989015000195 Text en © Kaur et al. 2015 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 | Research Communications Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Glidewell, Christopher Byrappa, K. Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title_full | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title_fullStr | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title_full_unstemmed | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title_short | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
title_sort | crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384575/ https://www.ncbi.nlm.nih.gov/pubmed/25878812 http://dx.doi.org/10.1107/S2056989015000195 |
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