Information card for entry 2011138
Common name |
Lena-3h |
Formula |
C11 H13 N5 O5 |
Calculated formula |
C11 H13 N5 O5 |
SMILES |
O=C1N(C(=O)N(C(=N1)Nc1ccc(N(=O)=O)cc1)C)C.O |
Title of publication |
3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV) |
Authors of publication |
Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2000 |
Journal volume |
56 |
Journal issue |
7 |
Pages of publication |
832 - 835 |
a |
18.17 ± 0.004 Å |
b |
10.53 ± 0.003 Å |
c |
6.972 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1334 ± 0.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0676 |
Residual factor for significantly intense reflections |
0.0487 |
Weighted residual factors for all reflections included in the refinement |
0.1297 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.194 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2011138.html