Crystallography Open Database

Information card for entry 8107166

Preview

Coordinates	8107166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N5 O5.5
Calculated formula	C10 H16 N5 O5.5
Title of publication	Crystal structure of (E)-amino(2-(3-ethoxy-4-hydroxybenzylidene)hydrazineyl)methaniminium nitrate hemihydrate C10H16N5O5.5
Authors of publication	Jin, Ze-Sen; Liu, E.; Liu, Xiao-Jing; Jian, Fang-Fang; Liang, Tongling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	607 - 609
a	17.7836 ± 0.0008 Å
b	9.4796 ± 0.0004 Å
c	15.874 ± 0.0008 Å
α	90°
β	97.093 ± 0.005°
γ	90°
Cell volume	2655.6 ± 0.2 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 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	0.0613
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
283649 (current)	2023-05-10	cif/ Adding structures of 8107166 via cif-deposit CGI script.	8107166.cif