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Information card for entry 2240466
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| Coordinates | 2240466.cif |
|---|---|
| Structure factors | 2240466.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>-ethylhydrazine-1-carbothioamide |
|---|---|
| Formula | C12 H15 N3 O2 S |
| Calculated formula | C12 H15 N3 O2 S |
| Title of publication | Crystal structure of (<i>E</i>)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide |
| Authors of publication | de Oliveira, Adriano Bof; Lira de Farias, Renan; Näther, Christian; Jess, Inke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o208 - o209 |
| a | 5.7207 ± 0.0003 Å |
| b | 10.6225 ± 0.0006 Å |
| c | 10.8103 ± 0.0006 Å |
| α | 83.908 ± 0.005° |
| β | 79.913 ± 0.005° |
| γ | 87.029 ± 0.005° |
| Cell volume | 642.74 ± 0.06 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240466.cif 2240466.hkl |
| 181324 | 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 2/24/04. |
2240466.cif 2240466.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. |
2240466.cif 2240466.hkl |
| 132570 | 2015-02-28 | cif/ hkl/ Adding structures of 2240466 via cif-deposit CGI script. |
2240466.cif 2240466.hkl |
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