Further study of estertin trichlorides,Cl3SnCH2CH2CO2R. Lewis acidity towards acetonitrile. Crystal structure of Cl3SnCH2CH2CO2Pr-i |
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| Institution: | 1. Xiangya School of Pharmaceutical Sciences, Central South University, Changsha 410013, China;2. The Third Xiangya Hospital, Central South University, Changsha 410013, China;1. School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing, 211198, PR China;2. State Key Laboratory of Biotherapy and Cancer Center, West China Hospital, West, Sichuan University, Chengdu, 610041, China;3. West China School of Public Health and West China Fourth Hospital, Sichuan University, Chengdu, 610041, China;4. State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing, 210009, PR China |
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| Abstract: | Crystals of Cl3SnCH2CH2CO2Pri-i are orthorhombic, space group P212121 with a 9.638(6), b 10.004(7) and c 12.848(8) Å. The tin atom is five-coordinate with two chlorines and carbon equatorial and the remaining chlorine and the carbonyl oxygen axial, in a distorted trigonal-bipyramidal arrangement: (SnCl)ax 2.389(3), average (SnCl)eq 2.320(2), SnC 2.142(9), SnO 2.337(5) Å. Apart from the equatorial chlorine and the terminal carbons in the isopropyl group, all non-hydrogen atoms are essentially coplanar. The molecule approaches C2v symmetry although not constrained to do so by the crystallographic space group.In MeCN solution, the compounds Cl3SnCH2CH2CO2R (I, R = Me, Pr-i, C6H4X (X = p-MeO, H, p-Cl, o-MeO or C6H3Cl2-2,4) form as equilibrium mixtures of 1/1 and 2/1 MeCN/I complexes; the chelate ring is broken in the 2/1 complexes. Equilibrium constants indicate that the strength of the intramolecular SnO coordination in I increases with the electron releasing ability of the R group. |
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