Crystallography Open Database

Information card for entry 8105062

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Coordinates	8105062.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(imidazole-1-yl)methane
Formula	C7 H6 N6 O4
Calculated formula	C7 H6 N6 O4
Title of publication	The crystal structure of bis(4-nitroimidazole-1-1yl)methane, C7H6N6O4
Authors of publication	Yong, Wang; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	217 - 218
a	21.0402 ± 0.0007 Å
b	7.9959 ± 0.0003 Å
c	11.8012 ± 0.0004 Å
α	90°
β	102.379 ± 0.001°
γ	90°
Cell volume	1939.22 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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