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Information card for entry 2240393
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| Coordinates | 2240393.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Crotonaldehyde semicarbazone |
|---|---|
| Chemical name | (<i>E</i>)-2-[(<i>E</i>)-But-2-en-1-ylidene]hydrazinecarboxamide |
| Formula | C5 H9 N3 O |
| Calculated formula | C5 H9 N3 O |
| SMILES | C/C=C/C=N/NC(=O)N |
| Title of publication | Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data |
| Authors of publication | Arfan, Atef; Rukiah, Mwaffak |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 168 - 172 |
| a | 11.1646 ± 0.0003 Å |
| b | 5.13891 ± 0.00009 Å |
| c | 13.0301 ± 0.0002 Å |
| α | 90° |
| β | 112.35 ± 0.0011° |
| γ | 90° |
| Cell volume | 691.43 ± 0.03 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Goodness-of-fit parameter for all reflections | 1.27 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240393.cif |
| 129971 | 2015-01-18 | cif/ Adding structures of 2240393, 2240394 via cif-deposit CGI script. |
2240393.cif |
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