Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol
A light-yellow crystalline product (1), which was isolated after one week from the filtrate of the reaction between S-2-methylbenzyldithiocarbazate and 2,3-dihydroxybenzaldehyde, was characterised by single crystal X-ray diffraction, FTIR and NMR spectroscopic analyses. The experimental molecular st...
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| Language: | English |
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Elsevier
2018
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| Online Access: | http://eprints.sunway.edu.my/847/ http://eprints.sunway.edu.my/847/1/Tiekink%20Synthesis%20Characterisation%20submitted.pdf |
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| author | Enis Nadia Md Yusof, Tiekink, Edward R. T. * Jotani, Mukesh M. Simone, Michela I Page, Alister J Ravoof, Thahira Begum S. A. |
| author_facet | Enis Nadia Md Yusof, Tiekink, Edward R. T. * Jotani, Mukesh M. Simone, Michela I Page, Alister J Ravoof, Thahira Begum S. A. |
| author_sort | Enis Nadia Md Yusof, |
| building | SU Institutional Repository |
| collection | Online Access |
| description | A light-yellow crystalline product (1), which was isolated after one week from the filtrate of the reaction between S-2-methylbenzyldithiocarbazate and 2,3-dihydroxybenzaldehyde, was characterised by single crystal X-ray diffraction, FTIR and NMR spectroscopic analyses. The experimental molecular structure of 1 has been established by X-ray crystallography and showed, to a first approximation, a planar C2N2S2 + dihydroxyphenyl region that has an almost orthogonal relationship to the rings of the pendant S-bound benzyl groups. This structure has been verified via density functional theory calculations using the B3LYP/6311G(d,p) level of theory. The molecular packing featured linear supramolecular chains along the b-axis sustained by tolyl-C–H…N(imine) and tolyl-C–H…π(tolyl) interactions; the importance of these contacts is indicated by a Hirshfeld surface analysis. |
| first_indexed | 2025-11-14T21:14:57Z |
| format | Article |
| id | sunway-847 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:57Z |
| publishDate | 2018 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-8472020-10-07T08:58:06Z http://eprints.sunway.edu.my/847/ Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol Enis Nadia Md Yusof, Tiekink, Edward R. T. * Jotani, Mukesh M. Simone, Michela I Page, Alister J Ravoof, Thahira Begum S. A. QD Chemistry A light-yellow crystalline product (1), which was isolated after one week from the filtrate of the reaction between S-2-methylbenzyldithiocarbazate and 2,3-dihydroxybenzaldehyde, was characterised by single crystal X-ray diffraction, FTIR and NMR spectroscopic analyses. The experimental molecular structure of 1 has been established by X-ray crystallography and showed, to a first approximation, a planar C2N2S2 + dihydroxyphenyl region that has an almost orthogonal relationship to the rings of the pendant S-bound benzyl groups. This structure has been verified via density functional theory calculations using the B3LYP/6311G(d,p) level of theory. The molecular packing featured linear supramolecular chains along the b-axis sustained by tolyl-C–H…N(imine) and tolyl-C–H…π(tolyl) interactions; the importance of these contacts is indicated by a Hirshfeld surface analysis. Elsevier 2018-11-05 Article PeerReviewed text en http://eprints.sunway.edu.my/847/1/Tiekink%20Synthesis%20Characterisation%20submitted.pdf Enis Nadia Md Yusof, and Tiekink, Edward R. T. * and Jotani, Mukesh M. and Simone, Michela I and Page, Alister J and Ravoof, Thahira Begum S. A. (2018) Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol. Journal of Molecular Structure, 1171. pp. 650-657. ISSN 0022-2860 https://www.sciencedirect.com/science/article/abs/pii/S0022286018307142 |
| spellingShingle | QD Chemistry Enis Nadia Md Yusof, Tiekink, Edward R. T. * Jotani, Mukesh M. Simone, Michela I Page, Alister J Ravoof, Thahira Begum S. A. Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title | Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title_full | Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title_fullStr | Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title_full_unstemmed | Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title_short | Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| title_sort | synthesis, characterisation and structure determination of 3-[(1z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/847/ http://eprints.sunway.edu.my/847/ http://eprints.sunway.edu.my/847/1/Tiekink%20Synthesis%20Characterisation%20submitted.pdf |