Information card for entry 2015903
Common name |
metamitron |
Chemical name |
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one |
Formula |
C10 H10 N4 O |
Calculated formula |
C10 H10 N4 O |
SMILES |
n1nc(n(N)c(=O)c1c1ccccc1)C |
Title of publication |
4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron) |
Authors of publication |
Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
o259 - o262 |
a |
9.5433 ± 0.0002 Å |
b |
9.1416 ± 0.0002 Å |
c |
21.8652 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1907.54 ± 0.07 Å3 |
Cell temperature |
150 ± 1 K |
Ambient diffraction temperature |
150 ± 1 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0486 |
Residual factor for significantly intense reflections |
0.0388 |
Weighted residual factors for significantly intense reflections |
0.0947 |
Weighted residual factors for all reflections included in the refinement |
0.0993 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
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/2015903.html