Information card for entry 2221607
Chemical name |
2,2,2-Trichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide |
Formula |
C10 H10 Cl3 N O |
Calculated formula |
C10 H10 Cl3 N O |
SMILES |
ClC(Cl)(Cl)C(=O)Nc1cc(c(cc1)C)C |
Title of publication |
2,2,2-Trichloro-<i>N</i>-(3,4-dimethylphenyl)acetamide |
Authors of publication |
Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1041 |
a |
5.9003 ± 0.0008 Å |
b |
20.843 ± 0.002 Å |
c |
9.996 ± 0.001 Å |
α |
90° |
β |
105.53 ± 0.01° |
γ |
90° |
Cell volume |
1184.4 ± 0.2 Å3 |
Cell temperature |
299 ± 2 K |
Ambient diffraction temperature |
299 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0684 |
Residual factor for significantly intense reflections |
0.0568 |
Weighted residual factors for significantly intense reflections |
0.1432 |
Weighted residual factors for all reflections included in the refinement |
0.1509 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
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/2221607.html