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Information card for entry 2007255
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| Coordinates | 2007255.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,4-bis[2'hydroxy-3'-(N-ethylimino)-5'-methylbenzyl]-piperazine |
|---|---|
| Formula | C26 H36 N4 O2 |
| Calculated formula | C26 H34.5 N4 O2 |
| SMILES | CC/N=C/c1cc(C)cc(c1O)CN1CCN(CC1)Cc1cc(C)cc(c1O)/C=N/CC |
| Title of publication | 1,4-Bis[3-(<i>N</i>-ethyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine |
| Authors of publication | R.Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; M.Marappan; M.Kandaswamy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 644 - 645 |
| a | 19.033 ± 0.002 Å |
| b | 13.661 ± 0.001 Å |
| c | 9.546 ± 0.001 Å |
| α | 90° |
| β | 95.72 ± 0.01° |
| γ | 90° |
| Cell volume | 2469.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0888 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections | 0.1359 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Goodness-of-fit parameter for all reflections | 0.908 |
| Goodness-of-fit parameter for significantly intense reflections | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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