Information card for entry 2241334
Chemical name |
3-Benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea |
Formula |
C18 H19 N3 S |
Calculated formula |
C18 H19 N3 S |
SMILES |
S=C(NCc1ccccc1)N/N=C1\CCCc2ccccc12 |
Title of publication |
Crystal structure of 3-benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea |
Authors of publication |
Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Aziz, Ahmed T. Abdel-; Albayati, Mustafa R. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
12 |
Pages of publication |
o974 - o975 |
a |
11.9129 ± 0.0005 Å |
b |
9.6914 ± 0.0004 Å |
c |
27.822 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3212.1 ± 0.2 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0398 |
Residual factor for significantly intense reflections |
0.0345 |
Weighted residual factors for significantly intense reflections |
0.093 |
Weighted residual factors for all reflections included in the refinement |
0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2241334.html