3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione

The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol­ecules in the asymmetric unit. The morpholine ring in each mol­ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13 (10) and 75.52 (10)° with the two subs...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Chantrapromma, Suchada, Sujith, K. V., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968455/
https://www.ncbi.nlm.nih.gov/pubmed/21582161
http://dx.doi.org/10.1107/S1600536809003870
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author Fun, Hoong-Kun
Chantrapromma, Suchada
Sujith, K. V.
Kalluraya, B.
author_facet Fun, Hoong-Kun
Chantrapromma, Suchada
Sujith, K. V.
Kalluraya, B.
author_sort Fun, Hoong-Kun
collection PubMed
description The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol­ecules in the asymmetric unit. The morpholine ring in each mol­ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13 (10) and 75.52 (10)° with the two substituted benzene rings in one mol­ecule, with corresponding values of 19.36 (11)° and 89.03 (10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol­ecule. In the crystal packing, mol­ecules are linked into supra­molecular chains via weak C—H⋯O, C—H⋯N and C—H⋯S inter­actions, and C—H⋯π and N—O⋯π links also occur.
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spelling pubmed-29684552010-12-30 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Chantrapromma, Suchada Sujith, K. V. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol­ecules in the asymmetric unit. The morpholine ring in each mol­ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13 (10) and 75.52 (10)° with the two substituted benzene rings in one mol­ecule, with corresponding values of 19.36 (11)° and 89.03 (10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol­ecule. In the crystal packing, mol­ecules are linked into supra­molecular chains via weak C—H⋯O, C—H⋯N and C—H⋯S inter­actions, and C—H⋯π and N—O⋯π links also occur. International Union of Crystallography 2009-02-11 /pmc/articles/PMC2968455/ /pubmed/21582161 http://dx.doi.org/10.1107/S1600536809003870 Text en © Fun et al. 2009 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
Fun, Hoong-Kun
Chantrapromma, Suchada
Sujith, K. V.
Kalluraya, B.
3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title_full 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title_short 3-{1-[4-(2-Methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(morpholinometh­yl)-4-(4-nitro­benzyl­ideneamino)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968455/
https://www.ncbi.nlm.nih.gov/pubmed/21582161
http://dx.doi.org/10.1107/S1600536809003870
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