Information card for entry 2210124
| Chemical name |
4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one |
| Formula |
C17 H17 N3 O2 |
| Calculated formula |
C17 H17 N3 O2 |
| SMILES |
O=C1Nc2ccccc2N(C1)C(=O)CNCc1ccccc1 |
| Title of publication |
4-(2-Benzylaminoacetyl)-1,2,3,4-tetrahydroquinoxalin-2-one |
| Authors of publication |
Kruszynski, Rafal; Trzesowska, Agata; Czestkowski, Wojciech; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
9 |
| Pages of publication |
o3974 - o3976 |
| a |
4.701 ± 0.001 Å |
| b |
12.415 ± 0.002 Å |
| c |
14.083 ± 0.003 Å |
| α |
110.77 ± 0.03° |
| β |
93.16 ± 0.03° |
| γ |
96.04 ± 0.03° |
| Cell volume |
760.5 ± 0.3 Å3 |
| Cell temperature |
291 ± 0.3 K |
| Ambient diffraction temperature |
291 ± 0.3 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0511 |
| Residual factor for significantly intense reflections |
0.0444 |
| Weighted residual factors for significantly intense reflections |
0.1388 |
| Weighted residual factors for all reflections included in the refinement |
0.1554 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.129 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2210124.html
