Crystallography Open Database

Information card for entry 8107591

Preview

Coordinates	8107591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 N4 O4
Calculated formula	C6 H12 N4 O4
Title of publication	The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
Authors of publication	Cong, Chen; Ruxin, Zhang; Shiyu, Li; Lizhen, Chen; Jianlong, Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	885 - 886
a	9.8171 ± 0.0004 Å
b	16.1119 ± 0.0006 Å
c	6.9125 ± 0.0005 Å
α	90°
β	121.443 ± 0.001°
γ	90°
Cell volume	932.81 ± 0.09 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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