Crystallography Open Database

Information card for entry 2208371

2208370 << 2208371 >> 2208372

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Structure parameters

Chemical name	4-[(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)amino]benzoic acid
Formula	C16 H18 N2 O4
Calculated formula	C16 H18 N2 O4
SMILES	N1(Nc2ccc(cc2)C(=O)O)C(=O)C2(CC1=O)CCCCC2
Title of publication	4-[(1,3-Dioxo-2-azaspiro[4.5]decan-2-yl)amino]benzoic acid
Authors of publication	Dzierżawska-Majewska, Agnieszka; Karolak-Wojciechowska, Janina; Obniska, Jolanta
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	3
Pages of publication	o931 - o932
a	18.74 ± 0.004 Å
b	6.16 ± 0.0012 Å
c	25.637 ± 0.005 Å
α	90°
β	92.54 ± 0.03°
γ	90°
Cell volume	2956.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0763
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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