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Green approach for the synthesis of xanthenedione derivatives: crystal structure, DFT, and Hirshfeld surface analysis.

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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]
Copyright of Molecular Crystals & Liquid Crystals is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 156785936
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  Data: Green approach for the synthesis of xanthenedione derivatives: crystal structure, DFT, and Hirshfeld surface analysis.
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  Data: <searchLink fieldCode="JN" term="%22Molecular+Crystals+%26+Liquid+Crystals%22">Molecular Crystals & Liquid Crystals</searchLink>. 2021, Vol. 730 Issue 1, p35-51. 17p.
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  Data: <searchLink fieldCode="DE" term="%22Surface+analysis%22">Surface analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22X-ray+crystallography%22">X-ray crystallography</searchLink><br /><searchLink fieldCode="DE" term="%22Surface+interactions%22">Surface interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+interactions%22">Intermolecular interactions</searchLink>
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  Data: 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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  Data: <i>Copyright of Molecular Crystals & Liquid Crystals is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1080/15421406.2021.1946350
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        Text: English
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        Type: general
      – SubjectFull: Crystal structure
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      – SubjectFull: X-ray crystallography
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      – SubjectFull: Surface interactions
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      – SubjectFull: Intermolecular interactions
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              Text: 2021
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