Information card for entry 2204053
Chemical name |
(2E)-2-(2,4-Dichlorobenzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin- 3(5H)-one |
Formula |
C13 H10 Cl2 N2 O S |
Calculated formula |
C13 H10 Cl2 N2 O S |
SMILES |
S1C2=NCCCN2C(=O)/C1=C/c1ccc(Cl)cc1Cl |
Title of publication |
(2E)-2-(2,4-Dichlorobenzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin- 3(5H)-one |
Authors of publication |
Liang, Zu-Pei; Cao, Chang-Qing |
Journal of publication |
Acta Crystallographica, Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
8 |
Pages of publication |
o1333 - o1334 |
a |
6.155 ± 0.002 Å |
b |
9.676 ± 0.004 Å |
c |
22.507 ± 0.008 Å |
α |
90° |
β |
93.543 ± 0.006° |
γ |
90° |
Cell volume |
1337.8 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
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 |
0.0574 |
Residual factor for significantly intense reflections |
0.0384 |
Weighted residual factors for all reflections included in the refinement |
0.0944 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
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/2204053.html