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Information card for entry 2312087
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Coordinates | 2312087.cif |
---|---|
Structure factors | 2312087.hkl |
Original IUCr paper | HTML |
Chemical name | 1-[(2-Nitrophenyl)sulfonyl]-2,3-dihydro-1<i>H</i>-indole |
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Formula | C14 H12 N2 O4 S |
Calculated formula | C14 H12 N2 O4 S |
Title of publication | N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. |
Authors of publication | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | Pt 12 |
Pages of publication | 730 - 742 |
a | 7.4701 ± 0.0005 Å |
b | 23.6743 ± 0.0012 Å |
c | 7.8614 ± 0.0005 Å |
α | 90° |
β | 94.989 ± 0.003° |
γ | 90° |
Cell volume | 1385.02 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312087.html
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