Crystallography Open Database

Information card for entry 2239861

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Structure parameters

Chemical name	4,6-Dichloro-<i>N</i>-(2-chlorophenyl)-1,3,5-triazin-2-amine
Formula	C9 H5 Cl3 N4
Calculated formula	C9 H5 Cl3 N4
SMILES	Clc1nc(Cl)nc(n1)Nc1c(Cl)cccc1
Title of publication	Crystal structure of anilazine
Authors of publication	Jeon, Youngeun; Kim, Jineun; Kang, Gihang; Kim, Tae Ho
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	9
Pages of publication	o923
a	7.2491 ± 0.0009 Å
b	7.991 ± 0.0009 Å
c	10.5039 ± 0.0013 Å
α	111.954 ± 0.006°
β	106.411 ± 0.006°
γ	90.111 ± 0.006°
Cell volume	537.38 ± 0.12 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	0.0381
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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