Information card for entry 2228497
Chemical name |
1-Allyl-3-methyl-3',5'-diphenylspiro[quinoxaline- 2(1<i>H</i>),2'(3'<i>H</i>)-[1,3,4]thiadiazole] |
Formula |
C25 H22 N4 S |
Calculated formula |
C25 H22 N4 S |
SMILES |
C=CCN1c2ccccc2N=C(C21SC(=NN2c1ccccc1)c1ccccc1)C |
Title of publication |
1-Allyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1<i>H</i>),2'(3'<i>H</i>)-[1,3,4]thiadiazole] |
Authors of publication |
Anothane, Caleb Ahoya; Bouhfid, Rachid; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3227 |
a |
7.9201 ± 0.0001 Å |
b |
10.0713 ± 0.0001 Å |
c |
13.6642 ± 0.0002 Å |
α |
78.296 ± 0.001° |
β |
81.277 ± 0.001° |
γ |
89.826 ± 0.001° |
Cell volume |
1054.5 ± 0.02 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0788 |
Residual factor for significantly intense reflections |
0.0502 |
Weighted residual factors for significantly intense reflections |
0.1375 |
Weighted residual factors for all reflections included in the refinement |
0.1636 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2228497.html