Information card for entry 2222259
Chemical name |
<i>N</i>-(2,3-Dimethylphenyl)-2,2,2-trimethylacetamide |
Formula |
C13 H19 N O |
Calculated formula |
C13 H19 N O |
SMILES |
O=C(C(C)(C)C)Nc1cccc(c1C)C |
Title of publication |
<i>N</i>-(2,3-Dimethylphenyl)-2,2,2-trimethylacetamide |
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 |
7 |
Pages of publication |
o1529 |
a |
18.276 ± 0.004 Å |
b |
8.227 ± 0.002 Å |
c |
8.633 ± 0.002 Å |
α |
90° |
β |
97.94 ± 0.02° |
γ |
90° |
Cell volume |
1285.6 ± 0.5 Å3 |
Cell temperature |
299 ± 2 K |
Ambient diffraction temperature |
299 ± 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 |
0.1229 |
Residual factor for significantly intense reflections |
0.0734 |
Weighted residual factors for significantly intense reflections |
0.1941 |
Weighted residual factors for all reflections included in the refinement |
0.2209 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.955 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2222259.html