Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240017
Preview
| Coordinates | 2240017.cif |
|---|---|
| Structure factors | 2240017.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)\ pyridazin-3(2<i>H</i>)-one |
|---|---|
| Formula | C14 H18 Cl N5 O2 S |
| Calculated formula | C14 H18 Cl N5 O2 S |
| Title of publication | Crystal structure of 4-chloro-2-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-5-(piperidin-1-yl)pyridazin-3(2<i>H</i>)-one |
| Authors of publication | Li, Hongsen; Ren, Xinfeng; Li, Ya; Zhao, Linjing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1113 |
| a | 5.284 ± 0.0008 Å |
| b | 11.0323 ± 0.0016 Å |
| c | 14.902 ± 0.002 Å |
| α | 107.318 ± 0.002° |
| β | 91.59 ± 0.002° |
| γ | 99.528 ± 0.002° |
| Cell volume | 815.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.581 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240017.cif 2240017.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240017.cif 2240017.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240017.cif 2240017.hkl |
| 124363 | 2014-09-28 | cif/ hkl/ Adding structures of 2240017 via cif-deposit CGI script. |
2240017.cif 2240017.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.