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Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate
In the crystal structure of the title compound, 4C(21)H(22)N(2)O(2)S(2)·0.5C(3)H(6)O·11.5H(2)O, there are four crystallographically independent molecules (A, B, C, D) with similar geometries, 11 water molecules and a solvent acetone molecule which is disordered with a water molecule with occupan...
Autores principales: | , , , |
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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/PMC2968049/ https://www.ncbi.nlm.nih.gov/pubmed/21581590 http://dx.doi.org/10.1107/S1600536808040233 |
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author | Ravindran Durai Nayagam, B. Jebas, Samuel Robinson Selvarathy Grace, P. Schollmeyer, Dieter |
author_facet | Ravindran Durai Nayagam, B. Jebas, Samuel Robinson Selvarathy Grace, P. Schollmeyer, Dieter |
author_sort | Ravindran Durai Nayagam, B. |
collection | PubMed |
description | In the crystal structure of the title compound, 4C(21)H(22)N(2)O(2)S(2)·0.5C(3)H(6)O·11.5H(2)O, there are four crystallographically independent molecules (A, B, C, D) with similar geometries, 11 water molecules and a solvent acetone molecule which is disordered with a water molecule with occupancy factors of 0.5:0.5. The dihedral angles formed by the mesitylene ring with the two pyridyl rings are 82.07 (3) and 78.39 (3)° in molecule A, 86.20 (3) and 82.29 (3)° in molecule B, 81.05 (3) and 76.0 (4)° in molecule C, 86.0 (3) and 80.9 (3)° in moleule D. The two pyridyl rings form dihedral angles of 41.17 (4), 64.01 (3), 81.9 (3) and 82.25 (3)° in molecules A, B, C and D, respectively. The crystal structure is stabilized by intermolecular O—H⋯O hydrogen bonds and possible weak C—H⋯π interactions. Some short intramolecular S⋯O contacts are apparent [2.684 (4)–2.702 (4) Å]. |
format | Text |
id | pubmed-2968049 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29680492010-12-30 Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate Ravindran Durai Nayagam, B. Jebas, Samuel Robinson Selvarathy Grace, P. Schollmeyer, Dieter Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, 4C(21)H(22)N(2)O(2)S(2)·0.5C(3)H(6)O·11.5H(2)O, there are four crystallographically independent molecules (A, B, C, D) with similar geometries, 11 water molecules and a solvent acetone molecule which is disordered with a water molecule with occupancy factors of 0.5:0.5. The dihedral angles formed by the mesitylene ring with the two pyridyl rings are 82.07 (3) and 78.39 (3)° in molecule A, 86.20 (3) and 82.29 (3)° in molecule B, 81.05 (3) and 76.0 (4)° in molecule C, 86.0 (3) and 80.9 (3)° in moleule D. The two pyridyl rings form dihedral angles of 41.17 (4), 64.01 (3), 81.9 (3) and 82.25 (3)° in molecules A, B, C and D, respectively. The crystal structure is stabilized by intermolecular O—H⋯O hydrogen bonds and possible weak C—H⋯π interactions. Some short intramolecular S⋯O contacts are apparent [2.684 (4)–2.702 (4) Å]. International Union of Crystallography 2008-12-17 /pmc/articles/PMC2968049/ /pubmed/21581590 http://dx.doi.org/10.1107/S1600536808040233 Text en © Ravindran Durai Nayagam 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 Ravindran Durai Nayagam, B. Jebas, Samuel Robinson Selvarathy Grace, P. Schollmeyer, Dieter Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title | Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title_full | Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title_fullStr | Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title_full_unstemmed | Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title_short | Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
title_sort | tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968049/ https://www.ncbi.nlm.nih.gov/pubmed/21581590 http://dx.doi.org/10.1107/S1600536808040233 |
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