Information card for entry 2234818
Chemical name |
4'-<i>tert</i>-Butyl-5-chloro-3<i>H</i>-spiro[1,3-benzothiazole-2,1'- cyclohexane] |
Formula |
C16 H22 Cl N S |
Calculated formula |
C16 H22 Cl N S |
SMILES |
Clc1ccc2SC3(Nc2c1)CCC(CC3)C(C)(C)C |
Title of publication |
4'-<i>tert</i>-Butyl-5-chloro-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane] |
Authors of publication |
Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Dağdemir, Yılmaz; Tahir, Muhammad Nawaz |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
5 |
Pages of publication |
o1542 |
a |
15.281 ± 0.0018 Å |
b |
8.983 ± 0.0008 Å |
c |
11.875 ± 0.0013 Å |
α |
90° |
β |
109.58 ± 0.003° |
γ |
90° |
Cell volume |
1535.8 ± 0.3 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 |
0.1 |
Residual factor for significantly intense reflections |
0.0515 |
Weighted residual factors for significantly intense reflections |
0.1065 |
Weighted residual factors for all reflections included in the refinement |
0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
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/2234818.html