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Information card for entry 2023197
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Coordinates | 2023197.cif |
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Original IUCr paper | HTML |
Chemical name | <i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>-{[1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide |
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Formula | C29 H26 N2 O6 S2 |
Calculated formula | C29 H26 N2 O6 S2 |
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 | 13.463 ± 0.009 Å |
b | 17.193 ± 0.012 Å |
c | 11.532 ± 0.007 Å |
α | 90° |
β | 94.844 ± 0.019° |
γ | 90° |
Cell volume | 2660 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0676 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.1544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
2023197.cif |
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Users of the data should acknowledge the original authors of the
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