Syn- and anti-rotamers of the ortho-stereoisomer [Pt{(o-BrC6F4)N(CH2)2NEt2}Cl(py)]
Ojha, Ruchika, Bond, Alan M., Junk, Peter C., and Deacon, Glen B. (2025) Syn- and anti-rotamers of the ortho-stereoisomer [Pt{(o-BrC6F4)N(CH2)2NEt2}Cl(py)]. Acta Crystallographica Section C Structural Chemistry, 81 (Pt 9). pp. 513-518.
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Abstract
The crystal structure of the ortho-isomer trans-[N-(2-bromo-3,4,5,6-tetrafluorophenyl)-N0,N0-diethylethane-1,2-diaminato(1-)]chloridopyridineplatinum(II), [PtBr0.1(C12H14BrF>4N2)Cl0.9(C5H5N)][PtBr0.4(C12H14BrF4N2)Cl0.6(C5H5N)] or [Pt{(o-BrC6F4)N(CH2)2NEt2}Cl(py)], 1o, revealed syn and anti rotamers in a 1:1 ratio in the solid state. 1o crystallizes in the centrosymmetric space group P1. The Pt-coordinated Cl ligand exhibits partial occupancy with Br, predominantly in the syn-rotamer. Notably, agostic interactions are observed between the Pt centre and a H atom of one of the ethyl groups. The ortho-isomer 1o was successfully isolated as a side product from the reaction of [Pt{H2N(CH2)2NEt2}Cl2], Tlnf2CO3 and C6F5Br. While the para-isomer [Pt{(p-BrC6F4)N(CH2)2NEt2}Cl(py)], 1p, is the main product, the higher solubility of 1o facilitates its isolation.
| Item ID: | 88999 |
|---|---|
| Item Type: | Article (Research - C1) |
| ISSN: | 2053-2296 |
| Keywords: | agostic interactions, crystal structure, platinum anticancer agent, syn and anti rotamers, synchrotron |
| Copyright Information: | Published under a CC BY 4.0 licence. |
| Funders: | Australian Research Council (ARC) |
| Projects and Grants: | ARC DP120101470 |
| Date Deposited: | 24 Nov 2025 22:21 |
| FoR Codes: | 34 CHEMICAL SCIENCES > 3402 Inorganic chemistry > 340211 Transition metal chemistry @ 100% |
| SEO Codes: | 28 EXPANDING KNOWLEDGE > 2801 Expanding knowledge > 280105 Expanding knowledge in the chemical sciences @ 100% |
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