Information card for entry 2234357
Common name |
3,6,8-tribromo-7-ethylamino-4-methyl-2H-chromen-2-one |
Chemical name |
3,6,8-Tribromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one |
Formula |
C12 H10 Br3 N O2 |
Calculated formula |
C12 H10 Br3 N O2 |
SMILES |
Brc1c2oc(=O)c(Br)c(c2cc(Br)c1NCC)C |
Title of publication |
3,6,8-Tribromo-7-ethylamino-4-methyl-2<i>H</i>-chromen-2-one |
Authors of publication |
Zhang, Ting; Xi, Hai-tao; Miao, Chun-bao; Chen, Liang; Sun, Xiao-qiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1013 |
a |
8.5045 ± 0.0009 Å |
b |
7.2551 ± 0.0008 Å |
c |
21.556 ± 0.002 Å |
α |
90° |
β |
94.72 ± 0.002° |
γ |
90° |
Cell volume |
1325.5 ± 0.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0435 |
Residual factor for significantly intense reflections |
0.0316 |
Weighted residual factors for significantly intense reflections |
0.0929 |
Weighted residual factors for all reflections included in the refinement |
0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
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/2234357.html