Trentin Ivan, Schindler Claudia, Schulzke Carola
Ernst-Moritz-Arndt-Universität Greifswald; Institut für Biochemie, Felix-Hausdorff-Strasse 4, 17487 Greifswald, Germany.
Acta Crystallogr E Crystallogr Commun. 2018 May 22;74(Pt 6):840-845. doi: 10.1107/S2056989018007454. eCollection 2018 Jun 1.
The two title compounds, CHOS and CHOSSe, are isotypic with very similar cell parameters. The complete mol-ecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinct sizes of sulfur and selenium in the dichalcogenide bridges, with C-S-S-C and C-Se-Se-C torsion angles of 70.70 (5) and 68.88 (3)°, respectively. The crystal packing is determined by weak non-classical hydrogen-bonding inter-actions. One carbonyl oxygen but not the other participates in C-H⋯O inter-actions zigzagging along the axis, forming infinite chains. This is complemented by an intra-molecular C-H⋯S inter-action and further inter-molecular C-H⋯S (C-H⋯Se) inter-actions, resulting in a three-dimensional network. The inter-actions involving the bridging chalcogenides form chains protruding along the axis.
两种标题化合物CHOS和CHOSSe是同型的，具有非常相似的晶胞参数。尽管化学上完全对称，但完整的分子构成不对称单元。结构参数中最显著的差异源于二硫属化物桥中硫和硒的不同尺寸，C-S-S-C和C-Se-Se-C扭转角分别为70.70 (5)°和68.88 (3)°。晶体堆积由弱的非经典氢键相互作用决定。一个羰基氧而非另一个羰基氧参与沿 轴呈锯齿状的C-H⋯O相互作用，形成无限链。这由分子内C-H⋯S相互作用和进一步的分子间C-H⋯S（C-H⋯Se）相互作用补充，形成三维网络。涉及桥连硫属化物的相互作用形成沿 轴突出的链。
