Information card for entry 2018207
Common name |
trichloromethylimidoylbenzamidine |
Chemical name |
<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide |
Formula |
C9 H8 Cl3 N3 |
Calculated formula |
C9 H8 Cl3 N3 |
SMILES |
ClC(Cl)(Cl)C(=N)/N=C(\N)c1ccccc1 |
Title of publication |
Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides |
Authors of publication |
Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
8 |
Pages of publication |
o273 - o277 |
a |
10.2999 ± 0.0003 Å |
b |
10.9423 ± 0.0003 Å |
c |
15.6902 ± 0.0004 Å |
α |
85.5518 ± 0.0012° |
β |
86.5092 ± 0.0012° |
γ |
81.5436 ± 0.0011° |
Cell volume |
1741.67 ± 0.08 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.1068 |
Residual factor for significantly intense reflections |
0.0554 |
Weighted residual factors for significantly intense reflections |
0.1265 |
Weighted residual factors for all reflections included in the refinement |
0.1505 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.968 |
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/2018207.html