Crystallography Open Database

Information card for entry 2020894

2020893 << 2020894 >> 2020895

Preview

Structure parameters

Common name	2,2'-Methylenedihydrazinecarboximidamide dinitrate
Chemical name	2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate
Formula	C3 H14 N10 O6
Calculated formula	C3 H14 N10 O6
SMILES	C(=[NH2+])(N)NNCNNC(=[NH2+])N.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization
Authors of publication	Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	12.6989 ± 0.0004 Å
b	13.0236 ± 0.0006 Å
c	14.1585 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2341.61 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205158 (current)	2018-01-13	cif/ hkl/ Adding structures of 2020894, 2020895 via cif-deposit CGI script.	2020894.cif 2020894.hkl