Crystallography Open Database

Information card for entry 8105272

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Coordinates	8105272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 N2 O5
Calculated formula	C6 H6 N2 O5
Title of publication	The crystal structure of 5-nitropicolinic acid monohydrate, C6H6N2O5
Authors of publication	Jia, Hua-Li; Wang, Xin; Dai, Li-Yan; Wang, Li-Ke; Ren, Xiao-Yue
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	733 - 734
a	13.1766 ± 0.0011 Å
b	5.1019 ± 0.0004 Å
c	22.602 ± 0.002 Å
α	90°
β	91.081 ± 0.003°
γ	90°
Cell volume	1519.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0447
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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