Information card for entry 2201563
Common name |
2,4,5-trichloroacetanilide |
Chemical name |
N-[2,4,5-trichlorophenyl]acetamide |
Formula |
C8 H6 Cl3 N O |
Calculated formula |
C8 H6 Cl3 N O |
SMILES |
Clc1c(NC(=O)C)cc(Cl)c(Cl)c1 |
Title of publication |
2,4,5-Trichloroacetanilide |
Authors of publication |
Mahalakshmi, L.; Upadhyaya, V.; Guru Row, T. N. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
8 |
Pages of publication |
o946 - o947 |
a |
3.9015 ± 0.0008 Å |
b |
12.658 ± 0.003 Å |
c |
9.6687 ± 0.0019 Å |
α |
90° |
β |
101.186 ± 0.005° |
γ |
90° |
Cell volume |
468.42 ± 0.17 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
7 |
Hermann-Mauguin space group symbol |
P 1 n 1 |
Hall space group symbol |
P -2yac |
Residual factor for all reflections |
0.0238 |
Residual factor for significantly intense reflections |
0.0232 |
Weighted residual factors for significantly intense reflections |
0.061 |
Weighted residual factors for all reflections included in the refinement |
0.0616 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2201563.html