Information card for entry 2011140
Common name |
Lenaa3 |
Chemical name |
2-(4'-nitrophenylimino)-1,3,5-trimethyl-1,3,5-triazine-4,6,-dione |
Formula |
C12 H13 N5 O4 |
Calculated formula |
C12 H13 N5 O4 |
SMILES |
O=C1N(C(=O)N(C(=Nc2ccc(N(=O)=O)cc2)N1C)C)C |
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 |
8.253 ± 0.006 Å |
b |
8.493 ± 0.003 Å |
c |
10.084 ± 0.002 Å |
α |
78.79° |
β |
88.52° |
γ |
74.95° |
Cell volume |
669.3 ± 0.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0644 |
Residual factor for significantly intense reflections |
0.0484 |
Weighted residual factors for all reflections included in the refinement |
0.1442 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.907 |
Diffraction radiation wavelength |
0.71093 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/2011140.html