Crystallography Open Database

Information card for entry 2210059

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Structure parameters

Chemical name	(Z)-3-[Hydroxy(2,4-dimethoxyphenyl)methylene]-1-isopropylpyrrolidine- 2,4-dione
Formula	C16 H19 N O5
Calculated formula	C16 H19 N O5
SMILES	O=C1/C(=C(O)\c2ccc(OC)cc2OC)C(=O)N(C1)C(C)C
Title of publication	(Z)-3-[Hydroxy(2,4-dimethoxyphenyl)methylene]-1-isopropylpyrrolidine-2,4-dione
Authors of publication	Hai-Zhen Xu; You-Quan Zhu
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	9
Pages of publication	o3926 - o3927
a	21.288 ± 0.004 Å
b	12.132 ± 0.002 Å
c	13.767 ± 0.003 Å
α	90°
β	121.79 ± 0.003°
γ	90°
Cell volume	3022.2 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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