Information card for entry 2242922
Chemical name |
1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid monohydrate |
Formula |
C10 H12 N4 O3 |
Calculated formula |
C10 H12 N4 O3 |
Title of publication |
Crystal structure of 1-anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylic acid monohydrate |
Authors of publication |
Moreira, Olívia B. O.; Freitas, Maria Clara R.; Souza, Karynne C.; Jordão, Alessandro K.; Resende, Jackson A. L. C. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2019 |
Journal volume |
75 |
Journal issue |
6 |
Pages of publication |
738 - 741 |
a |
7.2288 ± 0.0014 Å |
b |
6.8265 ± 0.0014 Å |
c |
23.922 ± 0.005 Å |
α |
90° |
β |
98.69 ± 0.03° |
γ |
90° |
Cell volume |
1166.9 ± 0.4 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0718 |
Residual factor for significantly intense reflections |
0.0412 |
Weighted residual factors for significantly intense reflections |
0.0876 |
Weighted residual factors for all reflections included in the refinement |
0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
0.71073 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/2242922.html