Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512649
Preview
Coordinates | 1512649.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime |
---|---|
Chemical name | (1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime |
Formula | C6 H6 N2 O2 S |
Calculated formula | C6 H6 N2 O2 S |
SMILES | s1c(c(/C=N/O)cc1)/C=N\O |
Title of publication | Complexes of thiophene-2,3-dicarboxaldehyde bis(oxime) (2,3BTCOH2) with nickel(II) and copper(II): Synthesis, characterization, crystal structure of 2,3BTCOH2. Rearrangement reaction with nickel(II) bromide |
Authors of publication | Kusai Alomar; Vincent Gaumet; Magali Allain; Pascal Richomme; Gilles Bouet |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2012 |
Journal volume | 392 |
Pages of publication | 433 - 439 |
a | 24.1796 ± 0.0007 Å |
b | 4.2236 ± 0.0001 Å |
c | 15.7219 ± 0.0004 Å |
α | 90° |
β | 114.109 ± 0.002° |
γ | 90° |
Cell volume | 1465.54 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1808 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1512649.html
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.