Information card for entry 2103282
Chemical name |
Ethyl N-(2-amino-6-benzyloxypyrimidin-4-yl)gylcinate |
Formula |
C15 H17 N5 O4 |
Calculated formula |
C15 H17 N5 O4 |
SMILES |
n1c(N)nc(NCC(=O)OCC)c(N=O)c1OCc1ccccc1 |
Title of publication |
Amino-substituted O^6^-benzyl-5-nitrosopyrimidines: interplay of molecular, molecular-electronic and supramolecular structures |
Authors of publication |
Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Low, John N.; Cannon, Debbie; Farrell, Dorcas M. M.; Glidewell, Christopher |
Journal of publication |
Acta Crystallographica Section B |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
2 |
Pages of publication |
300 - 315 |
a |
7.3525 ± 0.0004 Å |
b |
7.542 ± 0.0005 Å |
c |
14.9454 ± 0.0013 Å |
α |
91.797 ± 0.003° |
β |
100.467 ± 0.003° |
γ |
106.102 ± 0.006° |
Cell volume |
780.06 ± 0.1 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 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 |
0.1297 |
Residual factor for significantly intense reflections |
0.0551 |
Weighted residual factors for significantly intense reflections |
0.1307 |
Weighted residual factors for all reflections included in the refinement |
0.1638 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.023 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2103282.html