Information card for entry 2016236
Chemical name
2,2,2-trichloro-N,N'-bis(4-chlorophenyl)ethane-1,1-diamine
Formula
C14 H11 Cl5 N2
Calculated formula
C14 H11 Cl5 N2
SMILES
ClC(Cl)(Cl)C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1
Title of publication
Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine
Authors of publication
Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu
Journal of publication
Acta Crystallographica Section C
Year of publication
2007
Journal volume
63
Journal issue
11
Pages of publication
o622 - o625
a
6.0186 ± 0.0006 Å
b
8.0624 ± 0.0008 Å
c
33.082 ± 0.003 Å
α
90°
β
90°
γ
90°
Cell volume
1605.3 ± 0.3 Å3
Cell temperature
291 ± 2 K
Ambient diffraction temperature
291 ± 2 K
Number of distinct elements
4
Space group number
19
Hermann-Mauguin space group symbol
P 21 21 21
Hall space group symbol
P 2ac 2ab
Residual factor for all reflections
0.0254
Residual factor for significantly intense reflections
0.0243
Weighted residual factors for significantly intense reflections
0.0623
Weighted residual factors for all reflections included in the refinement
0.0632
Goodness-of-fit parameter for all reflections included in the refinement
1.032
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/2016236.html