Crystallography Open Database

Information card for entry 2008878

2008877 << 2008878 >> 2008879

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Original IUCr paper	HTML

Structure parameters

Common name	N-hydroxypyridine-2-thione
Chemical name	1-Hydroxypyridine-2(1H)-thione
Formula	C5 H5 N O S
Calculated formula	C5 H5 N O S
SMILES	S=c1n(O)cccc1
Title of publication	1-Hydroxy-2(1<i>H</i>)-pyridinethione
Authors of publication	Bond, Andrew; Jones, William
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1536 - 1538
a	6.231 ± 0.003 Å
b	7.935 ± 0.004 Å
c	11.667 ± 0.006 Å
α	90°
β	92.09 ± 0.03°
γ	90°
Cell volume	576.5 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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