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Information card for entry 1543485
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| Coordinates | 1543485.cif |
|---|---|
| Structure factors | 1543485.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate |
|---|---|
| Formula | C8 H13 N7 O2 |
| Calculated formula | C8 H13 N7 O2 |
| SMILES | O=C(NN)Cc1n2nc(nc2nc(c1)C)N.O |
| Title of publication | 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate |
| Authors of publication | Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160870 |
| a | 7.2648 ± 0.0003 Å |
| b | 8.7228 ± 0.0004 Å |
| c | 8.9297 ± 0.0004 Å |
| α | 82.834 ± 0.002° |
| β | 71.465 ± 0.002° |
| γ | 85.478 ± 0.001° |
| Cell volume | 531.86 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183697 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543485 via cif-deposit CGI script. |
1543485.cif 1543485.hkl |
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Users of the data should acknowledge the original authors of the
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