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Information card for entry 2023196
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Coordinates | 2023196.cif |
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Original IUCr paper | HTML |
Chemical name | <i>N</i>-(3-Methoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}acetamide |
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Formula | C24 H22 N2 O4 S |
Calculated formula | C24 H22 N2 O4 S |
Title of publication | The crystal structure determination and Hirshfeld surface analysis of N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl) derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine |
Authors of publication | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K. |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 13.6698 ± 0.0017 Å |
b | 19.781 ± 0.002 Å |
c | 8.1056 ± 0.001 Å |
α | 90° |
β | 99.388 ± 0.008° |
γ | 90° |
Cell volume | 2162.4 ± 0.4 Å3 |
Cell temperature | 305 ± 2 K |
Ambient diffraction temperature | 305 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0994 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1376 |
Weighted residual factors for all reflections included in the refinement | 0.1785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
293351 (current) | 2024-07-10 | cif/ Adding structures of 2023196, 2023197 via cif-deposit CGI script. |
2023196.cif |
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Users of the data should acknowledge the original authors of the
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