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Information card for entry 8106756
Preview
| Coordinates | 8106756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 Cl N3 O4 |
|---|---|
| Calculated formula | C17 H12 Cl N3 O4 |
| SMILES | Clc1ccc(C(=O)N/N=C\2c3c(N(C2=O)CC(=O)O)cccc3)cc1 |
| Title of publication | The crystal structure of (Z)-2-(3-(2-(4-chlorobenzoyl)hydrazono)-2-oxoindolin-1-yl) acetic acid, C17H12ClN3O4 |
| Authors of publication | Wang, Su; Liu, Han-Yu; Sun, Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 1023 - 1024 |
| a | 6.8425 ± 0.0007 Å |
| b | 14.1931 ± 0.0016 Å |
| c | 17.0132 ± 0.0017 Å |
| α | 90° |
| β | 101.144 ± 0.003° |
| γ | 90° |
| Cell volume | 1621.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280860 (current) | 2023-02-13 | cif/ Adding structures of 8106756 via cif-deposit CGI script. |
8106756.cif |
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Users of the data should acknowledge the original authors of the
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