Crystallography Open Database

Information card for entry 2011937

2011936 << 2011937 >> 2011938

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2011937.hkl
Original IUCr paper	HTML

Structure parameters

Formula	C16 H18 N2 O6
Calculated formula	C16 H18 N2 O6
SMILES	C(=O)(C/C=C/CC(=O)O)O.O=c1cccc[nH]1.c1(=O)cccc[nH]1
Title of publication	Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids
Authors of publication	Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho
Journal of publication	Acta Crystallographica Section C
Year of publication	2001
Journal volume	57
Journal issue	5
Pages of publication	627 - 631
a	9.824 ± 0.003 Å
b	5.572 ± 0.0017 Å
c	15.556 ± 0.005 Å
α	90°
β	101.31 ± 0.03°
γ	90°
Cell volume	835 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections	1.89
Goodness-of-fit parameter for all reflections included in the refinement	1.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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