Information card for entry 2233092
Chemical name |
<i>N</i>-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide |
Formula |
C11 H11 F3 N2 O |
Calculated formula |
C11 H11 F3 N2 O |
SMILES |
O=C(N1CCCC1)Nc1ccc(c(c1F)F)F |
Title of publication |
<i>N</i>-(2,3,4-Trifluorophenyl)pyrrolidine-1-carboxamide |
Authors of publication |
Pei, Shuchen; Li, Jie; Qu, Boyi; Hai, Li; Wu, Yong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o12 |
a |
6.0708 ± 0.0004 Å |
b |
24.2124 ± 0.0015 Å |
c |
7.4232 ± 0.0006 Å |
α |
90° |
β |
100.508 ± 0.007° |
γ |
90° |
Cell volume |
1072.83 ± 0.13 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0899 |
Residual factor for significantly intense reflections |
0.0544 |
Weighted residual factors for significantly intense reflections |
0.1285 |
Weighted residual factors for all reflections included in the refinement |
0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2233092.html