Crystallography Open Database

Information card for entry 7061555

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Coordinates	7061555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 N2 O4
Calculated formula	C10 H12 N2 O4
Title of publication	Selective approach to N-substituted tertiary 2-pyridones
Authors of publication	Wang, Yu; Xu, Yaoyao; Khan, Shahid; Zhang, Zhunjie; Khan, Ajmal
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	23
Pages of publication	11138 - 11142
a	10.9511 ± 0.0008 Å
b	7.5328 ± 0.0006 Å
c	12.7907 ± 0.0009 Å
α	90°
β	99.332 ± 0.003°
γ	90°
Cell volume	1041.17 ± 0.13 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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