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Information card for entry 2241029
Preview
| Coordinates | 2241029.cif |
|---|---|
| Structure factors | 2241029.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-Ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate |
|---|---|
| Formula | C16 H18 N4 O5 |
| Calculated formula | C16 H18 N4 O5 |
| SMILES | c1(cc(cc2c1[nH]c(c2)C(=O)N/N=C(C)/CC(=O)OCC)C)N(=O)=O |
| Title of publication | Crystal structure of (<i>Z</i>)-ethyl 3-[2-(5-methyl-7-nitro-1<i>H</i>-indole-2-carbonyl)hydrazinylidene]butanoate |
| Authors of publication | Errossafi, Amal; El Kihel, Abdellatif; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o684 - o685 |
| a | 8.4716 ± 0.0009 Å |
| b | 8.4722 ± 0.0007 Å |
| c | 13.0971 ± 0.0009 Å |
| α | 108.695 ± 0.004° |
| β | 91.865 ± 0.004° |
| γ | 106.886 ± 0.004° |
| Cell volume | 843.81 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241029.cif 2241029.hkl |
| 153591 | 2015-08-22 | cif/ hkl/ Adding structures of 2241029 via cif-deposit CGI script. |
2241029.cif 2241029.hkl |
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Users of the data should acknowledge the original authors of the
structural data.