The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain.
The Cambridge Crystallographic Database has been searched for the presence of intermolecular C– H⋯π(chelate ring) interactions, known to be stabilising, in the crystals of the first-row transition metal dithiocarbamates, i.e. containing anionic ligands of the type −S2CNR2, R = H, alkyl and aryl. A s...
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| Format: | Article |
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Royal Society of Chemistry
2020
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| Online Access: | http://eprints.sunway.edu.my/1529/ |
| _version_ | 1848802079381913600 |
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| author | Tiekink, Edward R. T. * |
| author_facet | Tiekink, Edward R. T. * |
| author_sort | Tiekink, Edward R. T. * |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The Cambridge Crystallographic Database has been searched for the presence of intermolecular C– H⋯π(chelate ring) interactions, known to be stabilising, in the crystals of the first-row transition metal dithiocarbamates, i.e. containing anionic ligands of the type −S2CNR2, R = H, alkyl and aryl. A significant propensity to form C–H⋯π(chelate ring) interactions is noted, especially in crystals of nickel and copper dithiocarbamates. The participating hydrogen atoms are characterised as being near an electronegative atom/substituent encouraging their engagement in this supramolecular synthon. The survey shows that an open, square-planar geometry is not a prerequisite for a C–H⋯π(chelate ring) interaction but, allows, on average, more of these contacts leading to one- and two-dimensional architectures. It is concluded that a search for a C–H⋯π(chelate ring) supramolecular synthon should be included in any detailed analysis of the molecular packing of metal-containing crystals. |
| first_indexed | 2025-11-14T21:17:39Z |
| format | Article |
| id | sunway-1529 |
| institution | Sunway University |
| institution_category | Local University |
| last_indexed | 2025-11-14T21:17:39Z |
| publishDate | 2020 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-15292020-11-12T08:48:39Z http://eprints.sunway.edu.my/1529/ The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. Tiekink, Edward R. T. * QD Chemistry The Cambridge Crystallographic Database has been searched for the presence of intermolecular C– H⋯π(chelate ring) interactions, known to be stabilising, in the crystals of the first-row transition metal dithiocarbamates, i.e. containing anionic ligands of the type −S2CNR2, R = H, alkyl and aryl. A significant propensity to form C–H⋯π(chelate ring) interactions is noted, especially in crystals of nickel and copper dithiocarbamates. The participating hydrogen atoms are characterised as being near an electronegative atom/substituent encouraging their engagement in this supramolecular synthon. The survey shows that an open, square-planar geometry is not a prerequisite for a C–H⋯π(chelate ring) interaction but, allows, on average, more of these contacts leading to one- and two-dimensional architectures. It is concluded that a search for a C–H⋯π(chelate ring) supramolecular synthon should be included in any detailed analysis of the molecular packing of metal-containing crystals. Royal Society of Chemistry 2020-04-01 Article PeerReviewed Tiekink, Edward R. T. * (2020) The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. CrystEngComm, 22 (43). pp. 7308-7333. ISSN 1466-8033 (In Press) http://doi.org/10.1039/d0ce00289e doi:10.1039/d0ce00289e |
| spellingShingle | QD Chemistry Tiekink, Edward R. T. * The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title | The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title_full | The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title_fullStr | The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title_full_unstemmed | The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title_short | The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| title_sort | remarkable propensity for the formation of c–h⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain. |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/1529/ http://eprints.sunway.edu.my/1529/ http://eprints.sunway.edu.my/1529/ |