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

There are two mol­ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol­ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6)°, respectively, with the...

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Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Patil, P. S., Kalluraya, B., Muralidharan, A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962191/
https://www.ncbi.nlm.nih.gov/pubmed/21203272
http://dx.doi.org/10.1107/S160053680802254X
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author Fun, Hoong-Kun
Jebas, Samuel Robinson
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
author_facet Fun, Hoong-Kun
Jebas, Samuel Robinson
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
author_sort Fun, Hoong-Kun
collection PubMed
description There are two mol­ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol­ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6)°, respectively, with the bromo­phenyl and isobutylbenzene rings in mol­ecule A, and angles of 16.68 (7) and 87.29 (6)°, respectively, in mol­ecule B. Intra­molecular C—H⋯S hydrogen bonds generate S(5) and S(6) ring motifs in both independent mol­ecules. The crystal structure is stabilized by C—H⋯N, C—H⋯Br and C—H⋯O hydrogen-bonding inter­actions, together with C—H⋯π inter­actions.
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spelling pubmed-29621912010-12-30 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Jebas, Samuel Robinson Patil, P. S. Kalluraya, B. Muralidharan, A. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two mol­ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol­ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6)°, respectively, with the bromo­phenyl and isobutylbenzene rings in mol­ecule A, and angles of 16.68 (7) and 87.29 (6)°, respectively, in mol­ecule B. Intra­molecular C—H⋯S hydrogen bonds generate S(5) and S(6) ring motifs in both independent mol­ecules. The crystal structure is stabilized by C—H⋯N, C—H⋯Br and C—H⋯O hydrogen-bonding inter­actions, together with C—H⋯π inter­actions. International Union of Crystallography 2008-07-23 /pmc/articles/PMC2962191/ /pubmed/21203272 http://dx.doi.org/10.1107/S160053680802254X Text en © Fun et al. 2008 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
Jebas, Samuel Robinson
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short 4-(4-Bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-(4-bromo­benzyl­ideneamino)-3-{1-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1-(mor­phol­ino­meth­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962191/
https://www.ncbi.nlm.nih.gov/pubmed/21203272
http://dx.doi.org/10.1107/S160053680802254X
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