Bibliographic Details
| Title: |
Green approach for the synthesis of xanthenedione derivatives: crystal structure, DFT, and Hirshfeld surface analysis. |
| Authors: |
Shashi, R.1 (AUTHOR), Begum, Noor Shahina1 (AUTHOR), Panday, Anoop Kumar2 (AUTHOR), Foro, Sabine3 (AUTHOR) |
| Source: |
Molecular Crystals & Liquid Crystals. 2021, Vol. 730 Issue 1, p35-51. 17p. |
| Subjects: |
Surface analysis, Crystal structure, X-ray crystallography, Surface interactions, Intermolecular interactions |
| Abstract: |
A rapid and green approach for the synthesis of xanthenediones. This approach has many advantages such as environmentally friendly procedure, excellent yields, and short duration. The products were further confirmed by X-ray crystallography. The compounds 3a and 3b crystallize in space group P21/c and Pbca. The structures are stabilized by C–H···O and O–HˑˑˑO hydrogen bonds. Further, DFT and Hirshfeld surface analysis was carried out to visualize and explore several short intermolecular interactions on the molecular surface. The 2-D fingerprint plot provided the percentage contribution of each individual interactions with 61.9%, 64.0% overall contacts for the compounds 3a and 3b, respectively. [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
