Webb23 sep. 2024 · To visualize the intermolecular interactions in the crystal of the title compound, a Hirshfeld surface (HS) analysis was carried out by using Crystal Explorer 17.5 . The Hirshfeld surfaces mapped over d norm utilize the function of normalized distances d e and d i , where d e and d i are the distances from a given point on the … Webb4 juli 2024 · Analysis of Molecular Packing. Hirshfeld surface analysis; d norm, shape index (SI) and curvedness for the tetracene 3 are performed and the results are presented in Fig. 6. Summary of the most important contacts and their percentages are shown in Fig. 7. The percentages of these contacts are 14.8, 46.2 and 38.2%, respectively. The …
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Webb13 apr. 2024 · In recent years, fluorescent compounds that emit efficiently in the solid state have become particularly interesting, especially those that are easily prepared and … WebbAbstract: Hirshfeld surface analysis, a suitable tool for investigating intermolecular interactions, has been widely used in crystallography in recent years. A breakdown of … for school books
Synthesis, Crystal structure, Hirshfeld surface interactions, anti ...
Webb27 apr. 2024 · CrystalExplorer is a native cross-platform program supported on Windows, MacOS and Linux with the primary function of visualization and investigation of molecular crystal structures, especially through the decorated Hirshfeld surface and its corresponding two-dimensional fingerprint, and through the visualization of void spaces … Webb10 apr. 2024 · Hirshfeld Surface Analysis. Hirshfeld surface (HS) analyses were carried out and the associated two-dimensional fingerprint plots were generated by using Crystal Explorer 21.5. The default setting used for Hirshfeld Surface/fingerprint generation in crystal explorer is: Isovalue:0.5; property: none; resolution: high (standard). CrystalExplorer launched as a graphical user interface which facilitates the visualization of interactions in molecular crystal structures. In 2006, M. A. Spackman's student Dylan Jayatilaka and coworkers presented a paper about their new crystallographic software in the occasion of 23rd European Crystallographic Meeting (ECM23) conducted in Leuven. This software was designed by School of Biomedical and Chemical Sciences, University of Western Australia, Ned… for school days only oso