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Information card for entry 2240781
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| Coordinates | 2240781.cif |
|---|---|
| Structure factors | 2240781.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-((1<i>E</i>)-{(<i>E</i>)-2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazin-1-ylidene}methyl)naphthalen-2-ol |
|---|---|
| Formula | C22 H16 N2 O2 |
| Calculated formula | C22 H16 N2 O2 |
| SMILES | c1(O)c(c2ccccc2cc1)/C=N/N=C/c1c(ccc2ccccc12)O |
| Title of publication | Crystal structure of 1-((1<i>E</i>)-{(<i>E</i>)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-ylidene}methyl)naphthalen-2-ol |
| Authors of publication | Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Fleck, Michel; Paramasivam, Sugumar; Nanjappagounder, Ponnuswamy Mondikalipudur |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o428 |
| a | 8.568 ± 0.0007 Å |
| b | 6.102 ± 0.0005 Å |
| c | 15.987 ± 0.0006 Å |
| α | 90° |
| β | 91.191 ± 0.005° |
| γ | 90° |
| Cell volume | 835.65 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.007 |
| Residual factor for significantly intense reflections | 0.0069 |
| Weighted residual factors for significantly intense reflections | 0.019 |
| Weighted residual factors for all reflections included in the refinement | 0.019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240781.cif 2240781.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240781.cif 2240781.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240781.cif 2240781.hkl |
| 137440 | 2015-05-28 | cif/ hkl/ Adding structures of 2240781 via cif-deposit CGI script. |
2240781.cif 2240781.hkl |
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Users of the data should acknowledge the original authors of the
structural data.