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Information card for entry 4510550
Preview
| Coordinates | 4510550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,5-bis(salicylidene)carbohydrazide |
|---|---|
| Formula | C15 H14 N4 O3 |
| Calculated formula | C15 H14 N4 O3 |
| SMILES | N(=C\c1c(O)cccc1)/NC(=O)N/N=C/c1ccccc1O |
| Title of publication | Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity |
| Authors of publication | Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2900 |
| a | 10.5804 ± 0.0012 Å |
| b | 15.7399 ± 0.0018 Å |
| c | 9.0114 ± 0.0011 Å |
| α | 90° |
| β | 97.649 ± 0.011° |
| γ | 90° |
| Cell volume | 1487.4 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179652 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510550.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4510550.cif |
| 119073 | 2014-07-05 | cif/ Updating files of 4510550, 4510551, 4510552, 4510553 Original log message: Adding full bibliography for 4510550--4510553.cif. |
4510550.cif |
| 112329 | 2014-05-01 | cif/ Adding structures of 4510550, 4510551, 4510552, 4510553 via cif-deposit CGI script. |
4510550.cif |
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