Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543423
Preview
| Coordinates | 1543423.cif |
|---|---|
| Structure factors | 1543423.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Chloro-1-methylindoline-2,3-dione |
|---|---|
| Formula | C9 H6 Cl N O2 |
| Calculated formula | C9 H6 Cl N O2 |
| SMILES | Clc1ccc2N(C(=O)C(=O)c2c1)C |
| Title of publication | 5-Chloro-1-methylindoline-2,3-dione |
| Authors of publication | Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160913 |
| a | 3.9766 ± 0.0004 Å |
| b | 11.9503 ± 0.0013 Å |
| c | 17.947 ± 0.002 Å |
| α | 90° |
| β | 96.163 ± 0.003° |
| γ | 90° |
| Cell volume | 847.94 ± 0.16 Å3 |
| Cell temperature | 299.69 K |
| Ambient diffraction temperature | 299.69 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183362 (current) | 2016-06-11 | cif/ hkl/ Adding structures of 1543423 via cif-deposit CGI script. |
1543423.cif 1543423.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.