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Information card for entry 2233455
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| Coordinates | 2233455.cif |
|---|---|
| Structure factors | 2233455.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2-Hydroxyl-1-naphthaldehyde isonicotinoyl hydrazone nitrate |
|---|---|
| Chemical name | (<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1- yl)methylidene]hydrazinecarbonyl}pyridinium nitrate |
| Formula | C17 H14 N4 O5 |
| Calculated formula | C17 H14 N4 O5 |
| SMILES | Oc1c(c2c(cc1)cccc2)/C=N/NC(=O)c1cc[nH+]cc1.N(=O)(=O)[O-] |
| Title of publication | (<i>E</i>)-4-{2-[(2-Hydroxynaphthalen-1-yl)methylidene]hydrazinecarbonyl}pyridinium nitrate |
| Authors of publication | Bikas, Rahman; Hosseini Monfared, Hassan; Lis, Tadeusz; Siczek, Milosz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o367 - o368 |
| a | 8.695 ± 0.003 Å |
| b | 6.375 ± 0.002 Å |
| c | 28.955 ± 0.009 Å |
| α | 90° |
| β | 98.19 ± 0.04° |
| γ | 90° |
| Cell volume | 1588.6 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0674 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233455.cif 2233455.hkl |
| 181256 | 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 2/23/34. |
2233455.cif 2233455.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. |
2233455.cif 2233455.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233455.cif 2233455.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233455.cif 2233455.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233455.cif 2233455.hkl |
| 38249 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233455 via cif-deposit CGI script. |
2233455.cif |
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Users of the data should acknowledge the original authors of the
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