Information card for entry 2014173
Chemical name |
2,2'-dichloro-5,5'-dipropoxybenzidine |
Formula |
C18 H22 Cl2 N2 O2 |
Calculated formula |
C18 H22 Cl2 N2 O2 |
SMILES |
CCCOc1cc(c(cc1N)Cl)c1cc(OCCC)c(cc1Cl)N |
Title of publication |
Non-mutagenic organic pigment intermediates. II. Isomorphous 2,2'-dichloro-5,5'-dipropoxybenzidine and 2,2'-dimethyl-5,5'-dipropoxybenzidine |
Authors of publication |
El-Shafei, Ahmed; Hinks, David; Boyle, Paul D.; Freeman, Harold S. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
8 |
Pages of publication |
o569 - o571 |
a |
7.3054 ± 0.0004 Å |
b |
22.7966 ± 0.0011 Å |
c |
10.5956 ± 0.0008 Å |
α |
90° |
β |
91.679 ± 0.006° |
γ |
90° |
Cell volume |
1763.82 ± 0.19 Å3 |
Cell temperature |
148 K |
Ambient diffraction temperature |
148 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.03 |
Residual factor for significantly intense reflections |
0.03 |
Weighted residual factors for all reflections |
0.039 |
Weighted residual factors for all reflections included in the refinement |
0.039 |
Goodness-of-fit parameter for all reflections included in the refinement |
2.56 |
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/2014173.html