Bis(l-benzoato-j2O:O0)bis(benzoato-jO)octabutyldi- l3-oxido-tetratin(IV)

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Titel: Bis(l-benzoato-j2O:O0)bis(benzoato-jO)octabutyldi- l3-oxido-tetratin(IV)
Autor(en): Reuter, Hans
Okio, Coco K. Y. A.
Zusammenfassung: The asymmetric unit of the title compound, [{Sn(C 4 H 9 ) 2 (C 6 H 5 COO)} 2 O] 2 , consists of two half molecules, completed by application of inversion symmetry. Both molecules adopt a ladder structure typical for this class of dimeric tetraorganodistannoxane dicarboxylates 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 { R 2 SnO 3 } 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 carboxylate 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) A ̊ ]< d (Sn i —O 3 ) eq [2.044 (2) A ̊ ]< d (Sn i —O 3 ) ax [2.158 (6) A ̊ ]< d (Sn o —O 1 -carb) ax [2.182 (6) A ̊ ] < d (Sn i —O 2 -carb) ax [2.250 (2) A ̊ ] ’ d (Sn o —O 2 -carb ) ax [2.247 (12) A ̊ ]. The n -butyl groups adopt an anti–anti conformation with exception of two disordered outer n -butyl groups of the second molecule which exhibit gauche– anti and anti–gauche conformations. Weak intramolecular Sn O interactions 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 octahedral coordination at these Sn atoms. Intermolecular interactions between the individual molecules are restricted to van der Waals and O H—C interactions of which a nearly linear very short C—H O contact between the H atom of the phenyl group of one of the molecules 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 molecules along [111]. The two n -butyl groups attached to the outer Sn atom of one molecule are disordered over two sets of sites with occupancies of 0.806 (3)/ 0.194 (3) and 0.702 (3)/0.298 (3).
Bibliografische Angaben: Acta Crystallographica, 2017. E73, 3. S. 322-326
Schlagworte: crystal structure; dicarboxylate; tetraorganodistannoxane; ladder structure
Erscheinungsdatum: 14-Jun-2017
Lizenzbezeichnung: Namensnennung 4.0 International
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Publikationstyp: Einzelbeitrag in einer wissenschaftlichen Zeitschrift [article]
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