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Information card for entry 2239991
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| Coordinates | 2239991.cif |
|---|---|
| Structure factors | 2239991.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-Hydroxypyrimidine-2-carboximidamide |
|---|---|
| Formula | C5 H6 N4 O |
| Calculated formula | C5 H6 N4 O |
| SMILES | ON=C(N)c1ncccn1 |
| Title of publication | Crystal structure of <i>N</i>'-hydroxypyrimidine-2-carboximidamide |
| Authors of publication | Jasmine, Nithianantham Jeeva; Muthiah, Packianathan Thomas; Stanley, Nithianantham |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | o1107 - o1108 |
| a | 7.4066 ± 0.0007 Å |
| b | 8.0165 ± 0.0008 Å |
| c | 10.22 ± 0.0009 Å |
| α | 90° |
| β | 101.888 ± 0.006° |
| γ | 90° |
| Cell volume | 593.8 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.163 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239991.cif 2239991.hkl |
| 181318 | 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 2/23/99. |
2239991.cif 2239991.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. |
2239991.cif 2239991.hkl |
| 123953 | 2014-09-18 | cif/ hkl/ Adding structures of 2239991 via cif-deposit CGI script. |
2239991.cif 2239991.hkl |
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Users of the data should acknowledge the original authors of the
structural data.