Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019810
Preview
| Coordinates | 2019810.cif |
|---|---|
| Structure factors | 2019810.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}benzene-1,2-diol |
|---|---|
| Formula | C13 H9 Cl2 N O2 |
| Calculated formula | C13 H9 Cl2 N O2 |
| SMILES | Clc1cc(/N=C/c2c(O)c(O)ccc2)ccc1Cl |
| Title of publication | Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol |
| Authors of publication | Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o137 |
| a | 6.4237 ± 0.0008 Å |
| b | 8.8412 ± 0.0011 Å |
| c | 11.7799 ± 0.0015 Å |
| α | 88.606 ± 0.006° |
| β | 76.588 ± 0.006° |
| γ | 70.193 ± 0.005° |
| Cell volume | 611.19 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019810.cif 2019810.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019810.cif 2019810.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019810.cif 2019810.hkl |
| 130195 | 2015-01-29 | cif/ hkl/ Adding structures of 2019810 via cif-deposit CGI script. |
2019810.cif 2019810.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.