Information card for entry 2233077
Common name |
1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea |
Chemical name |
1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea |
Formula |
C14 H9 Cl3 N2 O S |
Calculated formula |
C14 H9 Cl3 N2 O S |
SMILES |
C(=S)(Nc1c(cc(c(c1)Cl)Cl)Cl)NC(=O)c1ccccc1 |
Title of publication |
1-Benzoyl-3-(2,4,5-trichlorophenyl)thiourea |
Authors of publication |
Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin; Imtiaz-ud-Din |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o119 |
a |
33.111 ± 0.008 Å |
b |
3.8413 ± 0.0007 Å |
c |
25.22 ± 0.006 Å |
α |
90° |
β |
115.995 ± 0.002° |
γ |
90° |
Cell volume |
2883.2 ± 1.1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
6 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0472 |
Residual factor for significantly intense reflections |
0.036 |
Weighted residual factors for significantly intense reflections |
0.0793 |
Weighted residual factors for all reflections included in the refinement |
0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
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/2233077.html