Crystallography Open Database

Information card for entry 2234376

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Structure parameters

Chemical name	1-(2-Hydroxyethyl)-3-phenylthiourea
Formula	C9 H12 N2 O S
Calculated formula	C9 H12 N2 O S
SMILES	S=C(Nc1ccccc1)NCCO
Title of publication	1-(2-Hydroxyethyl)-3-phenylthiourea
Authors of publication	Abdelhamid, Antar A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Potgieter, Herman
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	o1162
a	26.17 ± 0.004 Å
b	26.17 ± 0.004 Å
c	5.7775 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3956.8 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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