Crystallography Open Database

Information card for entry 7053399

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Coordinates	7053399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 I N2
Calculated formula	C11 H15 I N2
SMILES	[I-].N1(C(=[NH+]CCC1)c1ccccc1)C
Title of publication	Amidinium based ionic liquids
Authors of publication	Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	6
Pages of publication	1184
a	6.605 ± 0.0001 Å
b	15.57 ± 0.0003 Å
c	11.7069 ± 0.0002 Å
α	90°
β	97.551 ± 0.001°
γ	90°
Cell volume	1193.5 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0626
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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