Information card for entry 1546587
Chemical name |
6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione |
Formula |
C12 H13 Cl N2 O2 |
Calculated formula |
C12 H13 Cl N2 O2 |
SMILES |
Clc1cc2N(C(=O)C(=O)N(c2cc1)CC)CC |
Title of publication |
6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione |
Authors of publication |
El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar |
Journal of publication |
IUCrData |
Year of publication |
2017 |
Journal volume |
2 |
Journal issue |
7 |
Pages of publication |
x171052 |
a |
14.6454 ± 0.0008 Å |
b |
12.0415 ± 0.0005 Å |
c |
15.1149 ± 0.0009 Å |
α |
90° |
β |
115.621 ± 0.007° |
γ |
90° |
Cell volume |
2403.5 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
I 1 2/a 1 |
Hall space group symbol |
-I 2ya |
Residual factor for all reflections |
0.052 |
Residual factor for significantly intense reflections |
0.0447 |
Weighted residual factors for significantly intense reflections |
0.1191 |
Weighted residual factors for all reflections included in the refinement |
0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/1546587.html