Crystallography Open Database

Information card for entry 7220202

7220201 << 7220202 >> 7220203

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Structure parameters

Formula	C10 H10 N6 O2
Calculated formula	C10 H10 N6 O2
SMILES	c1(nonc1C1CC1)/N=N/c1c(C2CC2)non1
Title of publication	A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route
Authors of publication	Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill
Journal of publication	RSC Adv.
Year of publication	2015
a	7.6654 ± 0.0005 Å
b	9.6969 ± 0.0006 Å
c	15.2346 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1132.4 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7220202.cif
135761	2015-05-08	cif/ Adding structures of 7220202, 7220203 via cif-deposit CGI script.	7220202.cif