Information card for entry 2221373
Chemical name |
1-[2-(2,4-Dichlorophenyl)pentyl]-1<i>H</i>-1,2,4-triazole |
Formula |
C13 H15 Cl2 N3 |
Calculated formula |
C13 H15 Cl2 N3 |
SMILES |
Clc1c(C(Cn2ncnc2)CCC)ccc(Cl)c1 |
Title of publication |
1-[2-(2,4-Dichlorophenyl)pentyl]-1<i>H</i>-1,2,4-triazole |
Authors of publication |
Rizzoli, Corrado; Marku, Elda; Greci, Lucedio |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o663 |
a |
25.083 ± 0.008 Å |
b |
10.763 ± 0.002 Å |
c |
11.206 ± 0.003 Å |
α |
90° |
β |
105.654 ± 0.003° |
γ |
90° |
Cell volume |
2913.1 ± 1.3 Å3 |
Cell temperature |
297 ± 2 K |
Ambient diffraction temperature |
297 ± 2 K |
Number of distinct elements |
4 |
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 |
0.103 |
Residual factor for significantly intense reflections |
0.0559 |
Weighted residual factors for significantly intense reflections |
0.1183 |
Weighted residual factors for all reflections included in the refinement |
0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.994 |
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/2221373.html