Molecular complexes exhibiting polarization bonding. IV. The crystal structure of the anthracene–s-trinitrobenzene complex
Molecular complexes exhibiting polarization bonding. IV. The crystal structure of the anthracene–s-trinitrobenzene complex
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具有极化键合的分子配合物 IV. 蒽-s-三硝基苯配合物的晶体结构。
DOI：
10.1107/s0365110x64000445
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发表时间：
1964
期刊：
影响因子：
--
通讯作者：
A. Wilson
中科院分区：
文献类型：
--
作者：
D. Brown;S. Wallwork;A. Wilson
本文测定了蒽与s-三硝基苯形成的1：1配合物的室温和低温晶体结构。100 ℃）。在两个温度下，结构基本相同，尽管原子位置有微小差异。该晶体为单斜晶系，晶胞中有四个配合物分子，室温时尺寸为a= 11.70，B= 16.20，c= 13.22，均为± 0.02，fl= 132.8-± 0.5，低温时尺寸为a= 11.35，B= 16.27，c= 13.02，均为± 0.02，fl= 133 - 2-± 0 - 5，给出近似沿着[10-]晶体方向的最大收缩。空间群为C2/c。结构已确定在每个温度下通过三维傅立叶和最小二乘法。组分分子交替堆叠，每个在两个不同的取向，在无限列沿着c轴和最重要的分子间接触大约沿着这个方向。
The crystal structure of the 1: 1 complex formed between anthracene and s-trinitrobenzene has been determined at room temperature and at low temperature (ca.-100 C). The structure is basically the same at the two temperatures though there are small differences in atomic positions. The crystals are monoclinic with four molecules of complex in a cell of dimensions a= 11.70, b= 16.20, c= 13.22, all+ 0.02 A, fl= 132.8-+ 0.5 at room temperature, and a= 11.35, b= 16.27, c= 13.02, all-+ 0.02 A, fl= 133" 2-+ 0" 5 at low temperature, giving the maximum contraction approximately along the [10~] crystal direction. The space group is C2/c. The structure has been determined at each temperature by three-dimensional Fourier and least-squares methods. The component molecules are stacked alternately, each in two different orientations, in infinite columns along the c axis and the most important intermolecular contacts are approximately along this direction.