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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2962238 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT duhaitang 33bis345trimethoxybenzoyl11ophenylenedithioureaethanolsolvate AT duhaijun 33bis345trimethoxybenzoyl11ophenylenedithioureaethanolsolvate |