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Information card for entry 7248728
Preview
Coordinates | 7248728.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Methyl 2-ethyl-4-((2-ethyl-3-(methoxycarbonyl)-1,1-dioxido-4-oxo-3,4-dihydro- 2H-benzo[e][1,2]thiazin-3-yl)oxy)-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide |
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Formula | C24 H24 N2 O10 S2 |
Calculated formula | C24 H24 N2 O10 S2 |
Title of publication | Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies |
Authors of publication | Fatima, Muqudis; Siddiqui, Waseeq Ahmad; Choudhary, Muhammad Iqbal; Ashraf, Adnan; Niaz, Shanawer; Raza, Muhammad Asam; Alam, Seikh Mafiz; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Dahlous, Kholood Ahmed |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 24 |
Pages of publication | 16935 - 16944 |
a | 8.0501 ± 0.0009 Å |
b | 11.7489 ± 0.0015 Å |
c | 14.8904 ± 0.0019 Å |
α | 107.833 ± 0.004° |
β | 102.961 ± 0.003° |
γ | 97.54 ± 0.004° |
Cell volume | 1275.8 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0702 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7248728.html
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Users of the data should acknowledge the original authors of the
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