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Information card for entry 2012109
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| Coordinates | 2012109.cif |
|---|---|
| Structure factors | 2012109.hkl |
| Original IUCr paper | HTML |
| Chemical name | N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate |
|---|---|
| Formula | C22 H28 N4 O5 S |
| Calculated formula | C20 H22 N4 O4 |
| SMILES | O=C(N[C@H](C(=O)N)Cc1ccccc1)C(=O)N[C@H](C(=O)N)Cc1ccccc1 |
| Title of publication | Intermolecular contacts in the crystal packing of 2,2'-(<i>N</i>,<i>N</i>'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate |
| Authors of publication | Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | 865 - 867 |
| a | 5.183 ± 0.0005 Å |
| b | 15.22 ± 0.003 Å |
| c | 29.63 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2337.4 ± 0.9 Å3 |
| Cell temperature | 295 ± 3 K |
| Ambient diffraction temperature | 295 ± 3 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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