Crystallography Open Database

Information card for entry 1508499

Preview

Coordinates	1508499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 N4 O6 S
Calculated formula	C6 H10 N4 O6 S
SMILES	S(=O)(=O)([O-])[O-].On1c[nH+]cc1.On1c[nH+]cc1
Title of publication	Crystal Structures of 1-Hydroxyimidazole and Its Salts
Authors of publication	Laus, Gerhard; Kahlenberg, Volker
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	4
Pages of publication	1492 - 1501
a	6.5611 ± 0.001 Å
b	7.7322 ± 0.0011 Å
c	12.1134 ± 0.0014 Å
α	97.82 ± 0.011°
β	91.912 ± 0.011°
γ	113.295 ± 0.014°
Cell volume	556.62 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508499.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508499.cif
69364	2012-12-12	cif/ Adding structures of 1508499 via cif-deposit CGI script.	1508499.cif