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Information card for entry 2239456
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| Coordinates | 2239456.cif |
|---|---|
| Structure factors | 2239456.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide |
|---|---|
| Formula | C12 H10 N2 O3 |
| Calculated formula | C12 H10 N2 O3 |
| SMILES | Oc1ccc(cc1)C(=O)N/N=C/c1ccco1 |
| Title of publication | <i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide |
| Authors of publication | Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o242 |
| a | 9.5934 ± 0.0003 Å |
| b | 11.1939 ± 0.0004 Å |
| c | 10.3332 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1109.66 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.025 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239456.cif 2239456.hkl |
| 181313 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94. |
2239456.cif 2239456.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239456.cif 2239456.hkl |
| 110739 | 2014-04-19 | cif/ hkl/ Adding structures of 2239456 via cif-deposit CGI script. |
2239456.cif 2239456.hkl |
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Users of the data should acknowledge the original authors of the
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