Information card for entry 2237069
Chemical name |
(2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6- trimethylphenyl)formamido]ethyl}ammonium chloride |
Formula |
C21 H29 Cl N2 O |
Calculated formula |
C21 H29 Cl N2 O |
SMILES |
c1(c(cc(cc1C)C)C)N(C=O)CC[NH2+]c1c(cc(cc1C)C)C.[Cl-] |
Title of publication |
(2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6-trimethylphenyl)formamido]ethyl}ammonium chloride |
Authors of publication |
Ikhile, Monisola I.; Bala, Muhammad D. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
12 |
Pages of publication |
o3263 |
a |
8.2516 ± 0.0002 Å |
b |
8.8822 ± 0.0002 Å |
c |
14.7524 ± 0.0004 Å |
α |
74.857 ± 0.002° |
β |
86.315 ± 0.002° |
γ |
74.635 ± 0.002° |
Cell volume |
1006.38 ± 0.05 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.081 |
Residual factor for significantly intense reflections |
0.0443 |
Weighted residual factors for significantly intense reflections |
0.0955 |
Weighted residual factors for all reflections included in the refinement |
0.1073 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.903 |
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/2237069.html