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3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate

In the mol­ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50 (6) and 5.68 (5)° with respect to the trimethoxy­phenyl rings, while the two trimethoxy­phenyl rings are oriented at a dihedral angle of 44.18 (5)°. Intra­molecular N—H⋯...

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Detalles Bibliográficos
Autores principales: Du, Hai-Tang, Du, Hai-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962238/
https://www.ncbi.nlm.nih.gov/pubmed/21203322
http://dx.doi.org/10.1107/S1600536808023556
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author Du, Hai-Tang
Du, Hai-Jun
author_facet Du, Hai-Tang
Du, Hai-Jun
author_sort Du, Hai-Tang
collection PubMed
description In the mol­ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50 (6) and 5.68 (5)° with respect to the trimethoxy­phenyl rings, while the two trimethoxy­phenyl rings are oriented at a dihedral angle of 44.18 (5)°. Intra­molecular N—H⋯O and N—H⋯S hydrogen bonds result in the formation of non-planar six-, seven- and eight-membered rings. The twisting modes of the two side arms are different [C—N—C—O and C—N—C—N torsion angles = 0.1 (3) and 11.8 (3)°, respectively, in one arm, and 4.6 (3) and −11.5 (3)° in the other]. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules.
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spelling pubmed-29622382010-12-30 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate Du, Hai-Tang Du, Hai-Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(28)H(30)N(4)O(8)S(2)·C(2)H(6)O, the benzene ring is oriented at dihedral angles of 38.50 (6) and 5.68 (5)° with respect to the trimethoxy­phenyl rings, while the two trimethoxy­phenyl rings are oriented at a dihedral angle of 44.18 (5)°. Intra­molecular N—H⋯O and N—H⋯S hydrogen bonds result in the formation of non-planar six-, seven- and eight-membered rings. The twisting modes of the two side arms are different [C—N—C—O and C—N—C—N torsion angles = 0.1 (3) and 11.8 (3)°, respectively, in one arm, and 4.6 (3) and −11.5 (3)° in the other]. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules. International Union of Crystallography 2008-07-31 /pmc/articles/PMC2962238/ /pubmed/21203322 http://dx.doi.org/10.1107/S1600536808023556 Text en © Du and Du 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
Du, Hai-Tang
Du, Hai-Jun
3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title_full 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title_fullStr 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title_full_unstemmed 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title_short 3,3′-Bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
title_sort 3,3′-bis(3,4,5-trimethoxy­benzo­yl)-1,1′-(o-phenyl­ene)dithio­urea ethanol solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962238/
https://www.ncbi.nlm.nih.gov/pubmed/21203322
http://dx.doi.org/10.1107/S1600536808023556
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AT duhaijun 33bis345trimethoxybenzoyl11ophenylenedithioureaethanolsolvate