Crystallography Open Database

Information card for entry 2019296

2019295 << 2019296 >> 2019297

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Structure parameters

Chemical name	Imidazolidin-2-one
Formula	C3 H6 N2 O
Calculated formula	C3 H6 N2 O
SMILES	O=C1NCCN1
Title of publication	Imidazolidin-2-one: pseudosymmetry and twinning
Authors of publication	Taouss, Christina; Jones, Peter G.; Tindall, Daniel J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1534 - 1536
a	7.6219 ± 0.0003 Å
b	7.6219 ± 0.0003 Å
c	13.1632 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	764.69 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301798 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure.	2019296.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019296.cif
92121	2014-01-12	cif/ Adding structures of 2019296 via cif-deposit CGI script.	2019296.cif