Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107721
Preview
Coordinates | 8107721.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | alpha-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile |
---|---|
Formula | C14 H8 Cl2 N2 O |
Calculated formula | C14 H8 Cl2 N2 O |
Title of publication | Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O |
Authors of publication | Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2015 |
Journal volume | 230 |
Journal issue | 2 |
Pages of publication | 71 - 72 |
a | 18.692 ± 0.004 Å |
b | 5.8557 ± 0.0013 Å |
c | 12.575 ± 0.003 Å |
α | 90° |
β | 106.875 ± 0.003° |
γ | 90° |
Cell volume | 1317.1 ± 0.5 Å3 |
Ambient diffraction temperature | 296 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 significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288303 (current) | 2023-12-14 | cif/ Adding structures of 8107721 via cif-deposit CGI script. |
8107721.cif |
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.