Information card for entry 1546646
Chemical name |
7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione |
Formula |
C15 H20 Br N3 O2 |
Calculated formula |
C15 H20 Br N3 O2 |
SMILES |
Brc1cc2N(C(=O)C(=O)N(c2nc1)CCCC)CCCC |
Title of publication |
7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione |
Authors of publication |
Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar |
Journal of publication |
IUCrData |
Year of publication |
2017 |
Journal volume |
2 |
Journal issue |
7 |
Pages of publication |
x170984 |
a |
22.569 ± 0.006 Å |
b |
5.1097 ± 0.0013 Å |
c |
13.497 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1556.5 ± 0.7 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0917 |
Residual factor for significantly intense reflections |
0.068 |
Weighted residual factors for significantly intense reflections |
0.1472 |
Weighted residual factors for all reflections included in the refinement |
0.156 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
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/1546646.html