Crystallography Open Database

Information card for entry 2000409

2000408 << 2000409 >> 2000410

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Coordinates	2000409.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H12 I2 N2
Calculated formula	C8 H12 I2 N2
SMILES	Cc1nc(C)c(nc1C)C.II
Title of publication	Molecular complexes of 1,4-diazines with iodine
Authors of publication	Bailey, R. D.; Buchanan, M. L.; Pennington, W. T.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	12
Pages of publication	2259 - 2262
a	11.657 ± 0.002 Å
b	13.763 ± 0.003 Å
c	7.654 ± 0.001 Å
α	90°
β	108.06 ± 0.01°
γ	90°
Cell volume	1167.5 ± 0.4 Å³
Cell temperature	294 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0754
Goodness-of-fit parameter for significantly intense reflections	1.51
Diffraction radiation wavelength	0.071073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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