A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates
The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S2CN(CH2CH2)2O)2]2}2 (1), and cadmium, one-dimensional coordination polymer {Cd[S2CN(CH2CH2)2O)2]2}2 (2), are described. In 1, a centrosymmetric binuclear molecule is found as there are...
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| Format: | Article |
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De Gruyter for Oldenbourgh Verlag
2019
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| Online Access: | http://eprints.sunway.edu.my/1041/ http://eprints.sunway.edu.my/1041/1/Tiekink%20New%20Structural%20motif%20for%20cadmium%20Z.%20Kristallogr.%20243%202019%20341%20accepted.pdf |
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| author | Jimmy Ahmad, How, Fiona N. F. Siti Nadiah Abdul Halim, Jotani, Mukesh M. Lee, See Mun * Tiekink, Edward R. T. * |
| author_facet | Jimmy Ahmad, How, Fiona N. F. Siti Nadiah Abdul Halim, Jotani, Mukesh M. Lee, See Mun * Tiekink, Edward R. T. * |
| author_sort | Jimmy Ahmad, |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear
{Zn[S2CN(CH2CH2)2O)2]2}2 (1), and cadmium, one-dimensional coordination polymer {Cd[S2CN(CH2CH2)2O)2]2}2 (2), are described. In 1, a centrosymmetric binuclear molecule is found as there are equal numbers of chelating and bidentate bridging dithiocarbamate ligands; weak transannular Zn...S interactions are found within the resultant eight-membered {...SCSZn}2 ring which has the form of a chair. The resultant 4+1 S5 donor set is highly distorted with the geometry tending towards a square-pyramid. By contrast, a square-planar geometry is found in centrosymmetric 2 defined by symmetrically chelating dithiocarbamate ligands. The presence of
Cd...S secondary bonding in the crystal of 2 leads to a distorted 4+2 S6 octahedron and a linear coordination polymer, which is unprecedented in the structural chemistry of cadmium dithiocarbamates. The analyses of the
Hirshfeld surfaces for 1 and 2 show the dominance of H…H, S…H/H…S and O…H/H…O contacts to the surface, i.e. contributing around 90 and 80%, respectively. |
| first_indexed | 2025-11-14T21:15:33Z |
| format | Article |
| id | sunway-1041 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:15:33Z |
| publishDate | 2019 |
| publisher | De Gruyter for Oldenbourgh Verlag |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-10412020-10-07T08:40:52Z http://eprints.sunway.edu.my/1041/ A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates Jimmy Ahmad, How, Fiona N. F. Siti Nadiah Abdul Halim, Jotani, Mukesh M. Lee, See Mun * Tiekink, Edward R. T. * QD Chemistry The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S2CN(CH2CH2)2O)2]2}2 (1), and cadmium, one-dimensional coordination polymer {Cd[S2CN(CH2CH2)2O)2]2}2 (2), are described. In 1, a centrosymmetric binuclear molecule is found as there are equal numbers of chelating and bidentate bridging dithiocarbamate ligands; weak transannular Zn...S interactions are found within the resultant eight-membered {...SCSZn}2 ring which has the form of a chair. The resultant 4+1 S5 donor set is highly distorted with the geometry tending towards a square-pyramid. By contrast, a square-planar geometry is found in centrosymmetric 2 defined by symmetrically chelating dithiocarbamate ligands. The presence of Cd...S secondary bonding in the crystal of 2 leads to a distorted 4+2 S6 octahedron and a linear coordination polymer, which is unprecedented in the structural chemistry of cadmium dithiocarbamates. The analyses of the Hirshfeld surfaces for 1 and 2 show the dominance of H…H, S…H/H…S and O…H/H…O contacts to the surface, i.e. contributing around 90 and 80%, respectively. De Gruyter for Oldenbourgh Verlag 2019-05 Article PeerReviewed text en cc_by_nc_4 http://eprints.sunway.edu.my/1041/1/Tiekink%20New%20Structural%20motif%20for%20cadmium%20Z.%20Kristallogr.%20243%202019%20341%20accepted.pdf Jimmy Ahmad, and How, Fiona N. F. and Siti Nadiah Abdul Halim, and Jotani, Mukesh M. and Lee, See Mun * and Tiekink, Edward R. T. * (2019) A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates. Zeitschrift fur Kristallographie, 234 (5). pp. 341-349. ISSN 0044-2968 (In Press) |
| spellingShingle | QD Chemistry Jimmy Ahmad, How, Fiona N. F. Siti Nadiah Abdul Halim, Jotani, Mukesh M. Lee, See Mun * Tiekink, Edward R. T. * A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title | A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title_full | A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title_fullStr | A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title_full_unstemmed | A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title_short | A new structural motif for cadmium dithiocarbamates: Crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| title_sort | new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1041/ http://eprints.sunway.edu.my/1041/1/Tiekink%20New%20Structural%20motif%20for%20cadmium%20Z.%20Kristallogr.%20243%202019%20341%20accepted.pdf |