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Information card for entry 2239274
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| Coordinates | 2239274.cif |
|---|---|
| Structure factors | 2239274.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide |
|---|---|
| Formula | C7 H13 Cl N2 O2 |
| Calculated formula | C7 H13 Cl N2 O2 |
| SMILES | ClCCNC(=O)N1CCOCC1 |
| Title of publication | <i>N</i>-(2-Chloroethyl)morpholine-4-carboxamide |
| Authors of publication | Ujam, Oguejiofo T.; Asegbeloyin, Jonnie N.; Nicholson, Brian K.; Ukoha, Pius O.; Ukwueze, Nkechi N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o463 |
| a | 10.7393 ± 0.0008 Å |
| b | 33.613 ± 0.003 Å |
| c | 9.9942 ± 0.0007 Å |
| α | 90° |
| β | 95.704 ± 0.005° |
| γ | 90° |
| Cell volume | 3589.8 ± 0.5 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1077 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2239274.cif 2239274.hkl |
| 181892 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239274.cif 2239274.hkl |
| 181311 | 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 2/23/92. |
2239274.cif 2239274.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. |
2239274.cif 2239274.hkl |
| 108846 | 2014-04-03 | cif/ hkl/ Adding structures of 2239274 via cif-deposit CGI script. |
2239274.cif 2239274.hkl |
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Users of the data should acknowledge the original authors of the
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