1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one

In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia­diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thia­diazole ring is in a twist conformation in both disorder components. The mean pla...

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Autores principales: Yusof, Mohd Sukeri Mohd, Mutalib, Fatimah Abdul, Arshad, Suhana, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344160/
https://www.ncbi.nlm.nih.gov/pubmed/22606163
http://dx.doi.org/10.1107/S1600536812012639
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author Yusof, Mohd Sukeri Mohd
Mutalib, Fatimah Abdul
Arshad, Suhana
Razak, Ibrahim Abdul
author_facet Yusof, Mohd Sukeri Mohd
Mutalib, Fatimah Abdul
Arshad, Suhana
Razak, Ibrahim Abdul
author_sort Yusof, Mohd Sukeri Mohd
collection PubMed
description In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia­diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thia­diazole ring is in a twist conformation in both disorder components. The mean plane through the thia­diazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (11)° (minor component) with the benzene ring. Intra­molecular C—H⋯N inter­actions generate two S(6) ring motifs. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into zigzag chains parallel to the b axis.
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spelling pubmed-33441602012-05-17 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one Yusof, Mohd Sukeri Mohd Mutalib, Fatimah Abdul Arshad, Suhana Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia­diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thia­diazole ring is in a twist conformation in both disorder components. The mean plane through the thia­diazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (11)° (minor component) with the benzene ring. Intra­molecular C—H⋯N inter­actions generate two S(6) ring motifs. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into zigzag chains parallel to the b axis. International Union of Crystallography 2012-03-31 /pmc/articles/PMC3344160/ /pubmed/22606163 http://dx.doi.org/10.1107/S1600536812012639 Text en © Yusof et al. 2012 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
Yusof, Mohd Sukeri Mohd
Mutalib, Fatimah Abdul
Arshad, Suhana
Razak, Ibrahim Abdul
1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title_full 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title_fullStr 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title_full_unstemmed 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title_short 1-(5-Benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
title_sort 1-(5-benzyl­sulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thia­diazol-3-yl)-2,2-dimethyl­propan-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344160/
https://www.ncbi.nlm.nih.gov/pubmed/22606163
http://dx.doi.org/10.1107/S1600536812012639
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