CRYSTAL-STRUCTURE OF TRANS-C2SNO5 PENTAGONAL BIPYRAMIDAL DIBUTYLBIS(PHENYLACETATO)TIN(IV) HYDRATE

The Lewis acidity of tin in a diorganotin is dicarboxylate is demonstrated in this first example of a 1/1 adduct of the ester with a neutral ligand. The structure of dibutyltin bisphenylacetate hydrate [(C4H9)2Sn(O2CCH2C6H5)2 . H2O] has been determined from 1211 \F0\ greater-than-or-equal-to 6 sigma\F\ Mo K-alpha reflections and refined to an R(F) of 0.061 [space group P2/a with a = 8.416(2), b = 10.391(5), c = 14.28(1) angstrom, beta = 98.42(4) degrees and Z = 2]. The C alpha atoms [Sn-C 2.101(8) angstrom; C-Sn-C 169.9(5)-degrees] make up the apices and the O(carboxylate) [Sn-O 2.234(5), 2.439(7) angstrom; O-Sn-O 55.7(2)-degrees] and O(water) [Sn-O 2.342(8) angstrom] atoms the equatorial points of the trans-C2SnO5 pentagonal bipyramid around the Sn atom. The molecular symmetry is C2, and the Sn and O(water) atoms lie along a crystallographic twofold axis. The aqua ligand forms donor H-bonds with neighboring carboxylato groups to link the molecules into a double zigzag chain running parallel to alpha.