Information card for entry 2006526
Chemical name |
1-(2,4-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole |
Formula |
C15 H10 F2 N2 S |
Calculated formula |
C15 H10 F2 N2 S |
SMILES |
S1C(n2c(C1)nc1c2cccc1)c1ccc(F)cc1F |
Title of publication |
1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives |
Authors of publication |
Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1997 |
Journal volume |
53 |
Journal issue |
9 |
Pages of publication |
1337 - 1341 |
a |
11.507 ± 0.002 Å |
b |
7.399 ± 0.001 Å |
c |
15.802 ± 0.002 Å |
α |
90° |
β |
106.83 ± 0.01° |
γ |
90° |
Cell volume |
1287.8 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.0402 |
Residual factor for significantly intense reflections |
0.0332 |
Weighted residual factors for all reflections |
0.0897 |
Weighted residual factors for significantly intense reflections |
0.0878 |
Goodness-of-fit parameter for all reflections |
1.077 |
Goodness-of-fit parameter for significantly intense reflections |
1.16 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2006526.html