Crystallography Open Database

Information card for entry 2236720

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Structure parameters

Chemical name	Pyrrolidine-2,5-dione
Formula	C4 H5 N O2
Calculated formula	C4 H5 N O2
SMILES	N1C(=O)CCC1=O
Title of publication	Pyrrolidine-2,5-dione
Authors of publication	Yu, Min; Huang, Xing; Gao, Feng
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	o2738
a	7.3661 ± 0.0004 Å
b	9.5504 ± 0.0005 Å
c	12.8501 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	903.99 ± 0.08 Å³
Cell temperature	135 ± 0.1 K
Ambient diffraction temperature	135 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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