Crystallography Open Database

Information card for entry 1542453

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Structure parameters

Chemical name	2-(Phenylsulfanyl)aniline
Formula	C12 H11 N S
Calculated formula	C12 H11 N S
SMILES	S(c1c(N)cccc1)c1ccccc1
Title of publication	2-(Phenylsulfanyl)aniline
Authors of publication	Mdluli, Velabo; Golen, James A.; Manke, David R.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	1
Pages of publication	x152489
a	17.743 ± 0.0007 Å
b	37.3075 ± 0.0019 Å
c	6.142 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4065.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.99 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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