S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate
In the title compound, C19H27F3N2OS2, the dihedral angle between the benzene ring and dithiocarbamate group is 67.00 (9)° and a weak intramolecular N—H...S interaction generates an S(7) ring. The tert-butyl group is disordered over two orientations in a 0.628 (14):0.372 (14) ratio. In the crystal, i...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-01-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314618000299 |
| _version_ | 1819064456023375872 |
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| author | Gamal A. El-Hiti Keith Smith Amany S. Hegazy Mohammed B. Alshammari Benson M. Kariuki |
| author_facet | Gamal A. El-Hiti Keith Smith Amany S. Hegazy Mohammed B. Alshammari Benson M. Kariuki |
| author_sort | Gamal A. El-Hiti |
| collection | DOAJ |
| description | In the title compound, C19H27F3N2OS2, the dihedral angle between the benzene ring and dithiocarbamate group is 67.00 (9)° and a weak intramolecular N—H...S interaction generates an S(7) ring. The tert-butyl group is disordered over two orientations in a 0.628 (14):0.372 (14) ratio. In the crystal, inversion dimers linked by pairs of weak C—H...O interactions generate R22(20) loops and the aromatic rings of neighbouring pairs of molecules are involved in very weak π–π stacking interactions [centroid–centroid separation = 4.0042 (13) Å]. |
| first_indexed | 2024-12-21T15:30:51Z |
| format | Article |
| id | doaj.art-f057bb5811f6406996159717edc4208e |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-21T15:30:51Z |
| publishDate | 2018-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-f057bb5811f6406996159717edc4208e2022-12-21T18:58:46ZengInternational Union of CrystallographyIUCrData2414-31462018-01-0131x18002910.1107/S2414314618000299hb4200S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamateGamal A. El-Hiti0Keith Smith1Amany S. Hegazy2Mohammed B. Alshammari3Benson M. Kariuki4Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, PO Box 10219, Riyadh 11433, Saudi ArabiaSchool of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UKSchool of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UKChemistry Department, College of Sciences and Humanities, Prince Sattam bin Abdulaziz University, PO Box 83, Al-Kharij 11942, Saudi ArabiaSchool of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UKIn the title compound, C19H27F3N2OS2, the dihedral angle between the benzene ring and dithiocarbamate group is 67.00 (9)° and a weak intramolecular N—H...S interaction generates an S(7) ring. The tert-butyl group is disordered over two orientations in a 0.628 (14):0.372 (14) ratio. In the crystal, inversion dimers linked by pairs of weak C—H...O interactions generate R22(20) loops and the aromatic rings of neighbouring pairs of molecules are involved in very weak π–π stacking interactions [centroid–centroid separation = 4.0042 (13) Å].http://scripts.iucr.org/cgi-bin/paper?S2414314618000299crystal structureintramolecular N—H...S interaction |
| spellingShingle | Gamal A. El-Hiti Keith Smith Amany S. Hegazy Mohammed B. Alshammari Benson M. Kariuki S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate IUCrData crystal structure intramolecular N—H...S interaction |
| title | S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate |
| title_full | S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate |
| title_fullStr | S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate |
| title_full_unstemmed | S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate |
| title_short | S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate |
| title_sort | s 2 2 2 dimethylpropanamido 3 trifluoromethyl phenyl n n diisopropyldithiocarbamate |
| topic | crystal structure intramolecular N—H...S interaction |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314618000299 |
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