Bis(?-benzoato-?2O:O')bis-(benzoato-?O)octabutyldi-?3-oxido-tetra-tin(IV).
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ABSTRACT: The asymmetric unit of the title compound, [{Sn(C4H9)2(C6H5COO)}2O]2, consists of two half molecules, completed by application of inversion symmetry. Both mol-ecules adopt a ladder structure typical for this class of dimeric tetra-organodistannoxane di-carboxyl-ates characterized by a centrosymmetric four-membered (Sn-O)2 ring of rhomboidal shape that is extended on both sides by folded six-membered Sn-O-C rings. To a first approximation, both kinds of Sn atoms (Sn i and Sn o ) are trigonal-bipyramidally coordinated. The bond angles between the n-butyl groups are widened [135.64?(7)-146.20?(7)°] in comparison with an ideal trigonal bipyramid. Sn-O bond lengths within the {R2SnO3} coordination sphere depend strongly on the position of the corresponding O atom - axial (ax) or equatorial (eq) - as well as on the functionality of the carboxyl-ate groups which exhibit ?2 (-COO i ) and ?1 (-COO o ) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn o -O?3) eq [2.024?(2)?Å] < d(Sn i -O?3) eq [2.044?(2)?Å] < d(Sn i -O?3) ax [2.158?(6)?Å] < d(Sn o -O?1-carb) ax [2.182?(6)?Å] < d(Sn i -O?2-carb) ax [2.250?(2)?Å] ? d(Sn o -O?2-carb) ax [2.247?(12)?Å]. The n-butyl groups adopt an anti-anti conformation with exception of two disordered outer n-butyl groups of the second mol-ecule which exhibit gauche-anti and anti-gauche conformations. Weak intra-molecular Sn?O inter-actions between the different O atoms of the outer carboxyl groups with the inner, as well as outer, Sn atoms give rise to a strongly distorted octa-hedral coordination at these Sn atoms. Inter-molecular inter-actions between the individual mol-ecules are restricted to van der Waals and O?H-C inter-actions of which a nearly linear very short C-H?O contact between the H atom of the phenyl group of one of the mol-ecules with the outer non-coordinating C=O group of the other molecule is the most prominent. It gives rise to a chain-like arrangement of the mol-ecules along [111]. The two n-butyl groups attached to the outer Sn atom of one mol-ecule are disordered over two sets of sites with occupancies of 0.806?(3)/0.194?(3) and 0.702?(3)/0.298?(3).
SUBMITTER: Reuter H
PROVIDER: S-EPMC5347045 | biostudies-literature | 2017 Mar
REPOSITORIES: biostudies-literature
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