Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study
The title diorganotin Schiff base derivative, [Sn(C4H9)2(C15H13N3O2S)], features a penta-coordinated tin centre defined by the N,O,S-donor atoms of the dianionic Schiff base ligand and two methylene-C atoms of the n-butyl substituents. The resultant C2NOS donor set defines a geometry intermediate b...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2021
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| Online Access: | http://eprints.sunway.edu.my/1605/ http://eprints.sunway.edu.my/1605/1/Tiekink%20acta%20cryst%202021%20e77%20286.pdf |
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| author | Enis Nadia Md Yusof, Kwong, Huey Chong * Thiruventhan, K. Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. * |
| author_facet | Enis Nadia Md Yusof, Kwong, Huey Chong * Thiruventhan, K. Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. * |
| author_sort | Enis Nadia Md Yusof, |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title diorganotin Schiff base derivative, [Sn(C4H9)2(C15H13N3O2S)], features a penta-coordinated tin centre defined by the N,O,S-donor atoms of the dianionic Schiff base ligand and two methylene-C atoms of the n-butyl
substituents. The resultant C2NOS donor set defines a geometry intermediate between trigonal–bipyramidal and square-pyramidal. In the crystal, amine-N—HO(methoxy) hydrogen bonding is found in a helical, supramolecular chain propagating along the b-axis direction. The chains are assembled into a layer parallel to (101) with methylene-C—H(phenyl) interactions prominent;
layers stack without directional interactions between them. The analysis of the calculated Hirshfeld surface showed the presence of weak methylene-C—H(phenyl) interactions and short HH contacts in the inter-layer region.
Consistent with the nature of the identified contacts, the stabilization of the crystal is dominated by the dispersion energy term. |
| first_indexed | 2025-11-14T21:17:57Z |
| format | Article |
| id | sunway-1605 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:17:57Z |
| publishDate | 2021 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-16052021-03-03T06:15:28Z http://eprints.sunway.edu.my/1605/ Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study Enis Nadia Md Yusof, Kwong, Huey Chong * Thiruventhan, K. Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. * QD Chemistry The title diorganotin Schiff base derivative, [Sn(C4H9)2(C15H13N3O2S)], features a penta-coordinated tin centre defined by the N,O,S-donor atoms of the dianionic Schiff base ligand and two methylene-C atoms of the n-butyl substituents. The resultant C2NOS donor set defines a geometry intermediate between trigonal–bipyramidal and square-pyramidal. In the crystal, amine-N—HO(methoxy) hydrogen bonding is found in a helical, supramolecular chain propagating along the b-axis direction. The chains are assembled into a layer parallel to (101) with methylene-C—H(phenyl) interactions prominent; layers stack without directional interactions between them. The analysis of the calculated Hirshfeld surface showed the presence of weak methylene-C—H(phenyl) interactions and short HH contacts in the inter-layer region. Consistent with the nature of the identified contacts, the stabilization of the crystal is dominated by the dispersion energy term. International Union of Crystallography 2021 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1605/1/Tiekink%20acta%20cryst%202021%20e77%20286.pdf Enis Nadia Md Yusof, and Kwong, Huey Chong * and Thiruventhan, K. and Ravoof, Thahira Begum S. A. and Tiekink, Edward R. T. * (2021) Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study. Acta Crystallographica Section E Crystallographic Communications, 77 (3). pp. 286-293. ISSN 2056-9890 (In Press) http://doi.org/10.1107/S2056989021001870 doi:10.1107/S2056989021001870 |
| spellingShingle | QD Chemistry Enis Nadia Md Yusof, Kwong, Huey Chong * Thiruventhan, K. Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. * Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title | Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_full | Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_fullStr | Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_full_unstemmed | Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_short | Di-n-butyl[N′-(3-methoxy-2-oxidobenzylidene)-N-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study |
| title_sort | di-n-butyl[n′-(3-methoxy-2-oxidobenzylidene)-n-phenylcarbamohydrazonothioato]tin(iv): crystal structure, hirshfeld surface analysis and computational study |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1605/ http://eprints.sunway.edu.my/1605/ http://eprints.sunway.edu.my/1605/ http://eprints.sunway.edu.my/1605/1/Tiekink%20acta%20cryst%202021%20e77%20286.pdf |