Information card for entry 2228455
Chemical name |
2-Chloro-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone |
Formula |
C9 H10 Cl N O S |
Calculated formula |
C9 H10 Cl N O S |
SMILES |
ClCC(=O)N1CCc2sccc2C1 |
Title of publication |
2-Chloro-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone |
Authors of publication |
Yang, Chuan-Wei; Yang, Miao; Liu, Deng-Ke; Wang, Ping-Bao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3214 |
a |
10.5753 ± 0.0004 Å |
b |
10.8291 ± 0.0004 Å |
c |
8.0679 ± 0.0003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
923.94 ± 0.06 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 2 K |
Number of distinct elements |
6 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0211 |
Residual factor for significantly intense reflections |
0.0201 |
Weighted residual factors for significantly intense reflections |
0.0564 |
Weighted residual factors for all reflections included in the refinement |
0.0568 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.089 |
Diffraction radiation wavelength |
0.7107 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2228455.html