Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240302
Preview
| Coordinates | 2240302.cif |
|---|---|
| Structure factors | 2240302.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-2-[1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide |
|---|---|
| Formula | C11 H13 N3 O2 S |
| Calculated formula | C11 H13 N3 O2 S |
| Title of publication | Crystal structure of (<i>E</i>)-2-[1-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethylidene]-<i>N</i>-methylhydrazine-1-carbothioamide |
| Authors of publication | de Oliveira, Adriano Bof; Näther, Christian; Jess, Inke; de Farias, Renan Lira; Ribeiro, Iasmin Alves |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o35 - o36 |
| a | 8.7927 ± 0.0004 Å |
| b | 12.5979 ± 0.0006 Å |
| c | 10.9254 ± 0.0004 Å |
| α | 90° |
| β | 106.098 ± 0.003° |
| γ | 90° |
| Cell volume | 1162.75 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240302.cif 2240302.hkl |
| 181323 | 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 2/24/03. |
2240302.cif 2240302.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2240302.cif 2240302.hkl |
| 128734 | 2014-12-14 | cif/ hkl/ Adding structures of 2240302 via cif-deposit CGI script. |
2240302.cif 2240302.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.