(N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C6H5)3(C7H14NS2)], are described. The molecular geometry about the metal atom is highly distorted being based on a C3S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The clo...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019
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| Online Access: | http://eprints.sunway.edu.my/1103/ http://eprints.sunway.edu.my/1103/1/Tiekink%20N%20N%20Diisopropyldithiocarbamato%20Acta%20Cryst.%20%282019%29%20E75%201479.pdf |
| _version_ | 1848801974720397312 |
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| author | Farah N. H., Normah Awang, Nurul Farahana Kamaludin, Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_facet | Farah N. H., Normah Awang, Nurul Farahana Kamaludin, Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_sort | Farah N. H., |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C6H5)3(C7H14NS2)], are described. The molecular geometry about the metal
atom is highly distorted being based on a C3S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [SnS = 2.9264 (4) A˚ ] is largely
responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—HC(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of HH contacts, which contribute 66.6% of all contacts to the surface, with CH/HC [26.8%] and
SH/HH [6.6%] contacts making up the balance. |
| first_indexed | 2025-11-14T21:15:59Z |
| format | Article |
| id | sunway-1103 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:15:59Z |
| publishDate | 2019 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-11032020-10-07T08:31:08Z http://eprints.sunway.edu.my/1103/ (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study Farah N. H., Normah Awang, Nurul Farahana Kamaludin, Jotani, Mukesh M. Tiekink, Edward R. T. * QD Chemistry The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C6H5)3(C7H14NS2)], are described. The molecular geometry about the metal atom is highly distorted being based on a C3S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [SnS = 2.9264 (4) A˚ ] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—HC(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of HH contacts, which contribute 66.6% of all contacts to the surface, with CH/HC [26.8%] and SH/HH [6.6%] contacts making up the balance. International Union of Crystallography 2019-09-07 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1103/1/Tiekink%20N%20N%20Diisopropyldithiocarbamato%20Acta%20Cryst.%20%282019%29%20E75%201479.pdf Farah N. H., and Normah Awang, and Nurul Farahana Kamaludin, and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2019) (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study. Acta Crystallographica Section E Crystallographic Communications, 75 (10). pp. 1479-1485. ISSN 2056-9890 (In Press) http://doi.org/10.1107/S2056989019012490 doi:10.1107/S2056989019012490 |
| spellingShingle | QD Chemistry Farah N. H., Normah Awang, Nurul Farahana Kamaludin, Jotani, Mukesh M. Tiekink, Edward R. T. * (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title | (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_full | (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_fullStr | (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_full_unstemmed | (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_short | (N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_sort | (n,n′-diisopropyldithiocarbamato)triphenyltin(iv): crystal structure, hirshfeld surface analysis and computational study |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1103/ http://eprints.sunway.edu.my/1103/ http://eprints.sunway.edu.my/1103/ http://eprints.sunway.edu.my/1103/1/Tiekink%20N%20N%20Diisopropyldithiocarbamato%20Acta%20Cryst.%20%282019%29%20E75%201479.pdf |