Crystallography Open Database

Information card for entry 2004592

2004591 << 2004592 >> 2004593

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Coordinates	2004592.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H11 I N2 S
Calculated formula	C12 H11 I N2 S
Title of publication	7-Methyl-6-phenylimidazo[2,1-<i>b</i>]thiazolium Iodide
Authors of publication	Tafeenko, V. A.; Schenk, H.; Paseshnichenko, K. A.; Aslanov, L. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	3
Pages of publication	729 - 731
a	6.255 ± 0.001 Å
b	30.059 ± 0.004 Å
c	7.425 ± 0.001 Å
α	90°
β	113.95 ± 0.02°
γ	90°
Cell volume	1275.8 ± 0.4 Å³
Cell temperature	295 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.021
Goodness-of-fit parameter for significantly intense reflections	1.62
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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