Then, Li Yee, Kumar, C.S. Chidan, Kwong, Huey Chong, Mah, Siau Hui, Loh, Wan-Sin, Quah, Ching Kheng, Win, Yip-Foo, Chandraju, Siddegowda (2018) Radical scavenging potency of 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoate: synthesis, crystal structure and Hirshfeld surface analysis. Zeitschrift für Kristallographie - Crystalline Materials, 233 (2) 125-134 doi:10.1515/zkri-2017-2083
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Radical scavenging potency of 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoate: synthesis, crystal structure and Hirshfeld surface analysis | ||
| Journal | Zeitschrift für Kristallographie - Crystalline Materials | ||
| Authors | Then, Li Yee | Author | |
| Kumar, C.S. Chidan | Author | ||
| Kwong, Huey Chong | Author | ||
| Mah, Siau Hui | Author | ||
| Loh, Wan-Sin | Author | ||
| Quah, Ching Kheng | Author | ||
| Win, Yip-Foo | Author | ||
| Chandraju, Siddegowda | Author | ||
| Year | 2018 (February 23) | Volume | 233 |
| Issue | 2 | ||
| Publisher | Walter de Gruyter GmbH | ||
| DOI | doi:10.1515/zkri-2017-2083Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 118085 | Long-form Identifier | mindat:1:5:118085:9 |
| GUID | 0 | ||
| Full Reference | Then, Li Yee, Kumar, C.S. Chidan, Kwong, Huey Chong, Mah, Siau Hui, Loh, Wan-Sin, Quah, Ching Kheng, Win, Yip-Foo, Chandraju, Siddegowda (2018) Radical scavenging potency of 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoate: synthesis, crystal structure and Hirshfeld surface analysis. Zeitschrift für Kristallographie - Crystalline Materials, 233 (2) 125-134 doi:10.1515/zkri-2017-2083 | ||
| Plain Text | Then, Li Yee, Kumar, C.S. Chidan, Kwong, Huey Chong, Mah, Siau Hui, Loh, Wan-Sin, Quah, Ching Kheng, Win, Yip-Foo, Chandraju, Siddegowda (2018) Radical scavenging potency of 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoate: synthesis, crystal structure and Hirshfeld surface analysis. Zeitschrift für Kristallographie - Crystalline Materials, 233 (2) 125-134 doi:10.1515/zkri-2017-2083 | ||
| In | (2018, February) Zeitschrift für Kristallographie - Crystalline Materials Vol. 233 (2) Walter de Gruyter GmbH | ||
| Abstract/Notes | AbstractTwo novel 2-(benzofuran-2-yl)-2-oxoethyl 3-(methyl/amino)benzoates2(a–b), were synthesized under mild conditions and characterized by spectroscopic analysis. The three-dimensional (3D) crystal structures of these compounds were further determined using single crystal X-ray diffraction technique and revealed that both compounds tend to twist away with respect to their attached carbonyl groups at the C(=O)–C–O–C(=O) connecting bridge, exhibiting a nearly perpendicular conformation with torsion angle in a range of 75–94°. In both compounds, each of the benzofuran and substituted phenyl rings are individually planar while almost perpendicular to each other. Their molecular conformation are comparable with related structures from the Cambridge Structural Database (CSD). Furthermore, the intermolecular interactions in these crystal structures were quantified and analyzed using Hirshfeld surfaces computational method. The quantitative data on the percentage contributions of overall interactions on the molecules 2a and 2b (A&B) is calculated by the 2-D fingerprint plots from the HS analysis. These structures were evaluated for their antioxidant properties by diphenyl-2-picrylhydrazyl (DPPH) radical scavenging, ferrous ion chelating (FIC) and hydrogen peroxide radical scavenging assays (H2O2). Noteworthy, compound2bwith an amino substituent attached to the phenyl ring exhibited an IC50value of 45.37 μg/mL in H2O2scavenging assay, which showed better scavenging effect than the standard drug, ascorbic acid (IC50=81.02 μg/mL). | ||
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