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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...

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Autores principales: Ravindran Durai Nayagam, B., Jebas, Samuel Robinson, Selvarathy Grace, P., Schollmeyer, Dieter
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
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].
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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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