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 ar...
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| Format: | Article |
| Language: | English English English |
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Walter de Gruyter
2019
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| Online Access: | http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/13/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_complete.pdf http://irep.iium.edu.my/65141/14/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_wos.pdf http://irep.iium.edu.my/65141/15/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_scopus.pdf |
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iium-65141 |
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eprints |
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iium-651412019-09-17T01:54:33Z http://irep.iium.edu.my/65141/ A new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates Ahmad, Jimmy How, Fiona Ni Foong Abdul Halim, Siti Nadiah Jotani, Mukesh M. Lee, Seemun 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 squarepyramid. 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. Walter de Gruyter 2019-05-01 Article PeerReviewed application/pdf en http://irep.iium.edu.my/65141/13/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_complete.pdf application/pdf en http://irep.iium.edu.my/65141/14/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_wos.pdf application/pdf en http://irep.iium.edu.my/65141/15/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_scopus.pdf Ahmad, Jimmy and How, Fiona Ni Foong and Abdul Halim, Siti Nadiah and Jotani, Mukesh M. and Lee, Seemun 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 für Kristallographie - Crystalline Materials, 234 (5). pp. 341-349. ISSN 2194-4946 E-ISSN 2196-7105 (In Press) https://www.degruyter.com/view/j/zkri 10.1515/zkri-2018-2141 |
| repository_type |
Digital Repository |
| institution_category |
Local University |
| institution |
International Islamic University Malaysia |
| building |
IIUM Repository |
| collection |
Online Access |
| language |
English English English |
| topic |
QD Chemistry |
| spellingShingle |
QD Chemistry Ahmad, Jimmy How, Fiona Ni Foong Abdul Halim, Siti Nadiah Jotani, Mukesh M. Lee, Seemun Tiekink, Edward R.T. A new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| 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 squarepyramid. 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. |
| format |
Article |
| author |
Ahmad, Jimmy How, Fiona Ni Foong Abdul Halim, Siti Nadiah Jotani, Mukesh M. Lee, Seemun Tiekink, Edward R.T. |
| author_facet |
Ahmad, Jimmy How, Fiona Ni Foong Abdul Halim, Siti Nadiah Jotani, Mukesh M. Lee, Seemun Tiekink, Edward R.T. |
| author_sort |
Ahmad, Jimmy |
| title |
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_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_sort |
new structural motif for cadmium dithiocarbamates: crystal structures and hirshfeld surface analyses of homoleptic zinc and cadmium morpholine dithiocarbamates |
| publisher |
Walter de Gruyter |
| publishDate |
2019 |
| url |
http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/ http://irep.iium.edu.my/65141/13/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_complete.pdf http://irep.iium.edu.my/65141/14/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_wos.pdf http://irep.iium.edu.my/65141/15/65141_A%20new%20structural%20motif%20for%20cadmium%20dithiocarbamate_scopus.pdf |
| first_indexed |
2023-09-18T21:32:25Z |
| last_indexed |
2023-09-18T21:32:25Z |
| _version_ |
1777412599044898816 |