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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...

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Autores principales: Kaur, Manpreet, Jasinski, Jerry P., Kavitha, Channappa N., Yathirajan, H. S., Byrappa, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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).
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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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