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Bis(μ-benzoato-κ(2) O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV)
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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347045/ https://www.ncbi.nlm.nih.gov/pubmed/28316800 http://dx.doi.org/10.1107/S2056989017001505 |
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author | Reuter, Hans Okio, Coco K. Y. A. |
author_facet | Reuter, Hans Okio, Coco K. Y. A. |
author_sort | Reuter, Hans |
collection | PubMed |
description | 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 μ(2) (–COO(i)) and μ(1) (–COO(o)) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn(o)—Oμ(3))(eq) [2.024 (2) Å] < d(Sn(i)—Oμ(3))(eq) [2.044 (2) Å] < d(Sn(i)—Oμ(3))(ax) [2.158 (6) Å] < d(Sn(o)—Oμ(1)-carb)(ax) [2.182 (6) Å] < d(Sn(i)—Oμ(2)-carb)(ax) [2.250 (2) Å] ≃ d(Sn(o)—Oμ(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 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). |
format | Online Article Text |
id | pubmed-5347045 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-53470452017-03-17 Bis(μ-benzoato-κ(2) O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) Reuter, Hans Okio, Coco K. Y. A. Acta Crystallogr E Crystallogr Commun Research Communications 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 μ(2) (–COO(i)) and μ(1) (–COO(o)) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sn(o)—Oμ(3))(eq) [2.024 (2) Å] < d(Sn(i)—Oμ(3))(eq) [2.044 (2) Å] < d(Sn(i)—Oμ(3))(ax) [2.158 (6) Å] < d(Sn(o)—Oμ(1)-carb)(ax) [2.182 (6) Å] < d(Sn(i)—Oμ(2)-carb)(ax) [2.250 (2) Å] ≃ d(Sn(o)—Oμ(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 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). International Union of Crystallography 2017-02-03 /pmc/articles/PMC5347045/ /pubmed/28316800 http://dx.doi.org/10.1107/S2056989017001505 Text en © Reuter and Okio 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Reuter, Hans Okio, Coco K. Y. A. Bis(μ-benzoato-κ(2) O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title | Bis(μ-benzoato-κ(2)
O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title_full | Bis(μ-benzoato-κ(2)
O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title_fullStr | Bis(μ-benzoato-κ(2)
O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title_full_unstemmed | Bis(μ-benzoato-κ(2)
O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title_short | Bis(μ-benzoato-κ(2)
O:O′)bis(benzoato-κO)octabutyldi-μ(3)-oxido-tetratin(IV) |
title_sort | bis(μ-benzoato-κ(2)
o:o′)bis(benzoato-κo)octabutyldi-μ(3)-oxido-tetratin(iv) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347045/ https://www.ncbi.nlm.nih.gov/pubmed/28316800 http://dx.doi.org/10.1107/S2056989017001505 |
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