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{2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone
In the title compound, C(22)H(18)N(2)O(3)S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclohexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclohexene ring is in a distorted chair conformation. The dihedral angles between th...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051066/ https://www.ncbi.nlm.nih.gov/pubmed/24940302 http://dx.doi.org/10.1107/S1600536814012185 |
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author | Kaur, Manpreet Jasinski, Jerry P. Kavitha, Channappa N. Yathirajan, H. S. Byrappa, K. |
author_facet | Kaur, Manpreet Jasinski, Jerry P. Kavitha, Channappa N. Yathirajan, H. S. Byrappa, K. |
author_sort | Kaur, Manpreet |
collection | PubMed |
description | In the title compound, C(22)H(18)N(2)O(3)S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclohexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclohexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thiophene ring and the 4-nitrobenzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitrobenzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C—H⋯O interactions consolidate molecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011). |
format | Online Article Text |
id | pubmed-4051066 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40510662014-06-17 {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone Kaur, Manpreet Jasinski, Jerry P. Kavitha, Channappa N. Yathirajan, H. S. Byrappa, K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(18)N(2)O(3)S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclohexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclohexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thiophene ring and the 4-nitrobenzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitrobenzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C—H⋯O interactions consolidate molecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011). International Union of Crystallography 2014-05-31 /pmc/articles/PMC4051066/ /pubmed/24940302 http://dx.doi.org/10.1107/S1600536814012185 Text en © Kaur 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 | Organic Papers Kaur, Manpreet Jasinski, Jerry P. Kavitha, Channappa N. Yathirajan, H. S. Byrappa, K. {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title | {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title_full | {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title_fullStr | {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title_full_unstemmed | {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title_short | {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
title_sort | {2-[(4-nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051066/ https://www.ncbi.nlm.nih.gov/pubmed/24940302 http://dx.doi.org/10.1107/S1600536814012185 |
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