Information card for entry 2214307
Chemical name |
N,N'-(4,5-Dichloro-o-phenylene)dibenzamide |
Formula |
C20 H14 Cl2 N2 O2 |
Calculated formula |
C20 H14 Cl2 N2 O2 |
SMILES |
Clc1cc(NC(=O)c2ccccc2)c(NC(=O)c2ccccc2)cc1Cl |
Title of publication |
<i>N</i>,<i>N</i>'-(4,5-Dichloro-<i>o</i>-phenylene)dibenzamide |
Authors of publication |
Kwak, Han; Kim, Sea-Hyun; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
7 |
Pages of publication |
o3141 - o3141 |
a |
8.3024 ± 0.0008 Å |
b |
11.8571 ± 0.0011 Å |
c |
18.7334 ± 0.0018 Å |
α |
90° |
β |
102.63 ± 0.002° |
γ |
90° |
Cell volume |
1799.5 ± 0.3 Å3 |
Cell temperature |
288 ± 2 K |
Ambient diffraction temperature |
288 ± 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 |
0.1052 |
Residual factor for significantly intense reflections |
0.0485 |
Weighted residual factors for significantly intense reflections |
0.0974 |
Weighted residual factors for all reflections included in the refinement |
0.1144 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2214307.html