Crystallography Open Database

Information card for entry 2237678

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Structure parameters

Chemical name	2-Benzylsulfanyl-<i>N</i>-(1,3-dimethylimidazolidin-2-ylidene)aniline
Formula	C18 H21 N3 S
Calculated formula	C18 H21 N3 S
Title of publication	2-Benzylsulfanyl-<i>N</i>-(1,3-dimethylimidazolidin-2-ylidene)aniline
Authors of publication	Flörke, Ulrich; Neuba, Adam; Henkel, Gerald
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	4
Pages of publication	o554
a	7.9814 ± 0.0005 Å
b	8.1158 ± 0.0005 Å
c	13.944 ± 0.0009 Å
α	97.232 ± 0.001°
β	102.721 ± 0.001°
γ	107.915 ± 0.001°
Cell volume	819.89 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0376
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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