Crystallography Open Database

Information card for entry 2200031

2200030 << 2200031 >> 2200032

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Amino-6-imidium-1,3,5-dithiazol-4-ene iodide
Formula	C3 H6 I N3 S2
Calculated formula	C3 H6 I N3 S2
SMILES	[I-].S1CSC(N=C1N)=[NH2+]
Title of publication	6-Amino-4-iminio-4<i>H</i>-1,3,5-dithiazole iodide
Authors of publication	Lynch, Daniel E.; McClenaghan, Ian
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	o70 - o71
a	11.05 ± 0.002 Å
b	18.964 ± 0.004 Å
c	8.1307 ± 0.0016 Å
α	90°
β	108.87 ± 0.03°
γ	90°
Cell volume	1612.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.046
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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