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Information card for entry 2237484
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| Coordinates | 2237484.cif |
|---|---|
| Structure factors | 2237484.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide |
|---|---|
| Formula | C9 H11 N3 O2 |
| Calculated formula | C9 H11 N3 O2 |
| SMILES | O/N=C(\N)c1c(NC(=O)C)cccc1 |
| Title of publication | (<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide |
| Authors of publication | Fun, Hoong-Kun; Ooi, Chin Wei; Dinesha; Viveka, S.; Nagaraja, G.K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o370 - o371 |
| a | 8.7813 ± 0.0012 Å |
| b | 9.5432 ± 0.0013 Å |
| c | 11.977 ± 0.0015 Å |
| α | 80.722 ± 0.002° |
| β | 78.531 ± 0.002° |
| γ | 70.181 ± 0.002° |
| Cell volume | 920.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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. |
2237484.cif 2237484.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237484.cif 2237484.hkl |
| 181296 | 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 2/23/74. |
2237484.cif 2237484.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. |
2237484.cif 2237484.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237484.cif 2237484.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237484.cif 2237484.hkl |
| 78776 | 2013-04-02 | cif/ Adding structures of 2237484 via cif-deposit CGI script. |
2237484.cif |
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Users of the data should acknowledge the original authors of the
structural data.