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Information card for entry 2240548
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| Coordinates | 2240548.cif |
|---|---|
| Structure factors | 2240548.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-2-[(2-Hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>-phenylhydrazine-1-carboxamide |
|---|---|
| Formula | C21 H19 N3 O3 |
| Calculated formula | C21 H19 N3 O3 |
| SMILES | N(=C(c1c(O)cc(OC)cc1)\c1ccccc1)\NC(=O)Nc1ccccc1 |
| Title of publication | Crystal structure of (<i>E</i>)-2-[(2-hydroxy-4-methoxyphenyl)(phenyl)methylidene]-<i>N</i>-phenylhydrazine-1-carboxamide |
| Authors of publication | Annie, C. F.; Sithambaresan, M.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 427 - 430 |
| a | 19.965 ± 0.002 Å |
| b | 9.9788 ± 0.0009 Å |
| c | 9.3366 ± 0.0007 Å |
| α | 90° |
| β | 90.34 ± 0.005° |
| γ | 90° |
| Cell volume | 1860.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1209 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240548.cif 2240548.hkl |
| 181325 | 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 2/24/05. |
2240548.cif 2240548.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. |
2240548.cif 2240548.hkl |
| 135130 | 2015-04-08 | cif/ hkl/ Adding structures of 2240548 via cif-deposit CGI script. |
2240548.cif 2240548.hkl |
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