首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Bis(μ-benzoato-κ2O:O′)bis­(benzoato-κO)octabutyldi-μ3-oxido-tetra­tin(IV)
【2h】

Bis(μ-benzoato-κ2O:O′)bis­(benzoato-κO)octabutyldi-μ3-oxido-tetra­tin(IV)

机译:Bis(μ-苯并-κ2O:O)双(benzoato-κO)八丁基二-μ3-氧化四丁酮(IV)

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

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 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 (Sni and Sno) 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 2SnO3} 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 μ2 (–COOi) and μ1 (–COOo) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sno—Oμ3)eq [2.024 (2) Å] < d(Sni—Oμ3)eq [2.044 (2) Å] < d(Sni—Oμ3)ax [2.158 (6) Å] < d(Sno—Oμ1-carb)ax [2.182 (6) Å] < d(Sni—Oμ2-carb)ax [2.250 (2) Å] ≃ d(Sno—Oμ2-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).
机译:标题化合物[{Sn(C4H9)2(C6H5COO)} 2O] 2的不对称单元由两个半分子组成,通过应用反对称性完成。这两种分子均采用典型的梯形结构,该结构为这类二聚四有机二氧杂环丁烷二羧酸二羧酸酯的特征,其特征在于呈菱形的中心对称四元(Sn-O)2环,其两侧均由折叠的六元Sn-OC环延伸。初步近似,两种Sn原子(Sni和Sno)都是三角双锥体配位的。与理想的三角双锥相比,正丁基之间的键角更宽[135.64(7)–146.20(7)°]。 {R 2SnO3}配位球内的Sn-O键长度主要取决于相应O原子的位置-轴向(ax)或赤道(eq)-以及表现出μ2(-COOi )和μ1(–COOo)协调模式。总之,发现以下距离[平均值]序列:d(Sn o -Oμ 3 eq [2.024(2) Å] i -Oμ 3 eq [2.044(2)Å] i —Oμ 3 ax [2.158(6)Å] em> d (Sn < em> o —Oμ 1 -carb) ax [2.182(6)Å] em> d (Sn i —Oμ 2 -carb) ax [2.250(2)Å]≃ d (Sn o -O μ 2 -carb < / em>) ax [2.247(12)Å]。 n -丁基基团具有 anti-anti 构象,但第二个分子的两个无序外部 n -丁基基团表现出 > gauche-anti anti-gauche 构象。外部羧基的不同O原子与内部以及外部Sn原子之间的弱分子内Sn⋯O相互作用在这些Sn原子上引起了严重扭曲的八面体配位。单个分子之间的分子间相互作用仅限于范德华力和O⋯H-C相互作用,其中一个分子的苯基的H原子与外部非氢原子之间几乎线性非常短的C-H⋯O接触另一个分子的配位C = O基团最为突出。它沿[111]引起了分子的链状排列。连接到一个分子的外部Sn原子上的两个 n -丁基在两组位点上无序排列,占用率为0.806(3)/0.194(3)和0.702(3)/0.298(3 )。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号