Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate

In the title mol­ecule, C(27)H(30)N(4)O(2)S·C(3)H(7)NO, the fused piperidine and cyclo­hexane rings adopt a twin chair conformation and the phenyl groups occupy equatorial sites. The phenyl rings make a dihedral angle of 40.74 (2)°. In the crystal, the di­methyl­formamide solvent mol­ecule is connec...

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Detalles Bibliográficos
Autores principales: Jothivel, S., Kabilan, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914099/
https://www.ncbi.nlm.nih.gov/pubmed/24527004
http://dx.doi.org/10.1107/S1600536813033540
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author Jothivel, S.
Kabilan, S.
author_facet Jothivel, S.
Kabilan, S.
author_sort Jothivel, S.
collection PubMed
description In the title mol­ecule, C(27)H(30)N(4)O(2)S·C(3)H(7)NO, the fused piperidine and cyclo­hexane rings adopt a twin chair conformation and the phenyl groups occupy equatorial sites. The phenyl rings make a dihedral angle of 40.74 (2)°. In the crystal, the di­methyl­formamide solvent mol­ecule is connected to the main mol­ecule by an N—H⋯O hydrogen bond. An additional N—H⋯O hydrogen bond connects mol­ecules into chains along [100]. Pairs of weak C—H⋯O hydrogen bonds connect inversion-related chains. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.660 (17):0.340 (17).
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spelling pubmed-39140992014-02-13 Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate Jothivel, S. Kabilan, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(27)H(30)N(4)O(2)S·C(3)H(7)NO, the fused piperidine and cyclo­hexane rings adopt a twin chair conformation and the phenyl groups occupy equatorial sites. The phenyl rings make a dihedral angle of 40.74 (2)°. In the crystal, the di­methyl­formamide solvent mol­ecule is connected to the main mol­ecule by an N—H⋯O hydrogen bond. An additional N—H⋯O hydrogen bond connects mol­ecules into chains along [100]. Pairs of weak C—H⋯O hydrogen bonds connect inversion-related chains. The ethyl group was refined as disordered over two sets of sites with an occupancy ratio of 0.660 (17):0.340 (17). International Union of Crystallography 2013-12-18 /pmc/articles/PMC3914099/ /pubmed/24527004 http://dx.doi.org/10.1107/S1600536813033540 Text en © Jothivel and Kabilan 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
Jothivel, S.
Kabilan, S.
Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title_full Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title_fullStr Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title_full_unstemmed Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title_short Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
title_sort ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914099/
https://www.ncbi.nlm.nih.gov/pubmed/24527004
http://dx.doi.org/10.1107/S1600536813033540
work_keys_str_mv AT jothivels ethyl2224diphenyl3azabicyclo331nonan9ylidenehydrazin1yl4methyl13thiazole5carboxylatedimethylformamidemonosolvate
AT kabilans ethyl2224diphenyl3azabicyclo331nonan9ylidenehydrazin1yl4methyl13thiazole5carboxylatedimethylformamidemonosolvate

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