Crystallography Open Database

Information card for entry 1508496

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Structure parameters

Formula	C3 H4 N2 O
Calculated formula	C3 H4 N2 O
SMILES	On1cncc1
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	5.1024 ± 0.0003 Å
b	8.2922 ± 0.0005 Å
c	9.3064 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	393.75 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1508496.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508496.cif
176729	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.	1508496.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508496.cif
69361	2012-12-12	cif/ Adding structures of 1508496 via cif-deposit CGI script.	1508496.cif