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Information card for entry 7207559
Preview
| Coordinates | 7207559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N'-2-propylidene-4-hydroxybenzohydrazide |
|---|---|
| Formula | C10 H12 N2 O2 |
| Calculated formula | C10 H12 N2 O2 |
| SMILES | c1(ccc(cc1)C(=O)NN=C(C)C)O |
| Title of publication | A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases |
| Authors of publication | Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2645 |
| a | 9.008 ± 0.001 Å |
| b | 7.064 ± 0.001 Å |
| c | 15.833 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1007.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207559.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207559.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207559.cif |
| 52035 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207555, 7207556, 7207557, 7207558, 7207559, 7207560, 7207561, 7207562 via cif-deposit CGI script. |
7207559.cif |
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Users of the data should acknowledge the original authors of the
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