Crystal structure of bis(benzoato-κO)dibutyltin(IV), nBu2Sn(bzo)2

The title compound, [Sn(C 4 H 9 ) 2 (C 6 H 5 COO) 2 ], was synthesized in order to study the interaction between di- n -butyltin(IV) oxide and some carboxylic acids. Di- n -butyltin(IV) dibenzoate, nBu 2 Sn(obz) 2 , exhibits the same structural features as other diorganotin(IV) dibenzoates characterized by an unsymmetrical bidentate bonding mode [Δ(Sn—O) ≃ 0.4 Å] of the two benzoate groups to tin. In a first approximation, the coordination sphere at tin resulting from the two stronger bonded O atoms [2.1227 (17) and 2.1405 (16) Å] and the two α-C atoms of the n -butyl groups [2.125 (3) and 2.129 (2) Å] is compressed to a tetragonal disphenoid [〈(C—Sn—C) = 148.2 (1)° and 〈(O—Sn—O) = 82.01 (6)°]. This coordination sphere is expanded by the less strongly bonded two O atoms [2.507 (2) and 2.485 (2) Å] to a substantially distorted octahedron and by a weak intermolecular Sn...O interaction [2.943 (2) Å] to a pentagonal bipyramid with the formation of centrosymmetric dimers. The unbranched butyl groups adopt two different conformations: anti–gauche [torsion angles: 166.0 (2)–63.9 (4)°] and gauche–gauche [65.0 (3)–56.3 (3)°]. Intermolecular interactions between the dimers are restricted to O...H—C contacts (2.64 Å) and van der Waals interactions.

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