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[S 2 CN(CH 2 CH 2 ) 2 O) 2 ] 2 } 2 (1), and cadmium, one-dimensional coordination polymer {Cd[S 2 CN(CH 2 CH 2 ) 2 O) 2 ] 2 } 2 (2), are described. In 1, a centrosymmetric binuclear molec...
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De Gruyter
2019
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| author | Ahmad, Jimmy How, Fiona N.-F. Halim, Siti Nadiah Abdul Jotani, Mukesh M. Lee, See Mun Tiekink, Edward R.T. |
| author_facet | Ahmad, Jimmy How, Fiona N.-F. Halim, Siti Nadiah Abdul Jotani, Mukesh M. Lee, See Mun Tiekink, Edward R.T. |
| author_sort | Ahmad, Jimmy |
| collection | UM |
| description | The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S 2 CN(CH 2 CH 2 ) 2 O) 2 ] 2 } 2 (1), and cadmium, one-dimensional coordination polymer {Cd[S 2 CN(CH 2 CH 2 ) 2 O) 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 S 5 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 S 6 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. © 2019 Walter de Gruyter GmbH, Berlin/Boston. |
| first_indexed | 2024-03-06T06:02:32Z |
| format | Article |
| id | um.eprints-24350 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T06:02:32Z |
| publishDate | 2019 |
| publisher | De Gruyter |
| record_format | dspace |
| spelling | um.eprints-243502020-05-20T00:31:37Z http://eprints.um.edu.my/24350/ A new structural motif for cadmium dithiocarbamates: crystal structures and Hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates Ahmad, Jimmy How, Fiona N.-F. Halim, Siti Nadiah Abdul Jotani, Mukesh M. Lee, See Mun Tiekink, Edward R.T. Q Science (General) QC Physics QD Chemistry The crystal and molecular structures of two homoleptic morpholine-derived dithiocarbamates of zinc, binuclear {Zn[S 2 CN(CH 2 CH 2 ) 2 O) 2 ] 2 } 2 (1), and cadmium, one-dimensional coordination polymer {Cd[S 2 CN(CH 2 CH 2 ) 2 O) 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 S 5 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 S 6 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. © 2019 Walter de Gruyter GmbH, Berlin/Boston. De Gruyter 2019 Article PeerReviewed Ahmad, Jimmy and How, Fiona N.-F. and Halim, Siti Nadiah Abdul 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 Crystalline Materials, 234 (5). pp. 341-349. ISSN 2194-4946, DOI https://doi.org/10.1515/zkri-2018-2141 <https://doi.org/10.1515/zkri-2018-2141>. https://doi.org/10.1515/zkri-2018-2141 doi:10.1515/zkri-2018-2141 |
| spellingShingle | Q Science (General) QC Physics QD Chemistry Ahmad, Jimmy How, Fiona N.-F. Halim, Siti Nadiah Abdul 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 | Q Science (General) QC Physics QD Chemistry |
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