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Information card for entry 2240064
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| Coordinates | 2240064.cif |
|---|---|
| Structure factors | 2240064.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(Quinolin-6-yl)hydroxylamine |
|---|---|
| Formula | C9 H8 N2 O |
| Calculated formula | C9 H8 N2 O |
| SMILES | ONc1cc2cccnc2cc1 |
| Title of publication | Crystal structure of <i>N</i>-(quinolin-6-yl)hydroxylamine |
| Authors of publication | Rajapakse, Anuruddha; Hillebrand, Roman; Lewis, Sarah M.; Parsons, Zachary D.; Barnes, Charles L.; Gates, Kent S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 322 - 324 |
| a | 9.373 ± 0.0015 Å |
| b | 9.7117 ± 0.0016 Å |
| c | 18.937 ± 0.003 Å |
| α | 84.855 ± 0.002° |
| β | 83.043 ± 0.002° |
| γ | 67.477 ± 0.002° |
| Cell volume | 1578.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.2008 |
| Weighted residual factors for all reflections included in the refinement | 0.2238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240064.cif 2240064.hkl |
| 181900 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240064.cif 2240064.hkl |
| 181320 | 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 2/24/00. |
2240064.cif 2240064.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. |
2240064.cif 2240064.hkl |
| 125276 | 2014-10-12 | cif/ hkl/ Adding structures of 2240064 via cif-deposit CGI script. |
2240064.cif 2240064.hkl |
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