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Information card for entry 2017768
Preview
| Coordinates | 2017768.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | meso-hexamethyl propylene amine oxime (meso-HMPAO) |
|---|---|
| Chemical name | <i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime |
| Formula | C13 H28 N4 O2 |
| Calculated formula | C13 H28 N4 O2 |
| SMILES | C(C)(C)(CN[C@H](C)C(=N\O)\C)CN[C@@H](C)C(\C)=N\O |
| Title of publication | Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases |
| Authors of publication | Al-Ktaifani, Mahmoud; Rukiah, Mwaffak |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o479 - o483 |
| a | 15.3159 ± 0.0003 Å |
| b | 8.74371 ± 0.00012 Å |
| c | 6.2177 ± 0.00009 Å |
| α | 81.1652 ± 0.001° |
| β | 93.4835 ± 0.001° |
| γ | 96.4282 ± 0.0008° |
| Cell volume | 816.8 ± 0.02 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 1.19 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2017768.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2017768.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017768.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017768.cif |
| 3811 | 2010-11-21 | ../uploads/cif-deposit/cod/cif Adding structures of 2017768, 2017769 via cif-deposit CGI script. |
2017768.cif |
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