Crystallography Open Database

Information card for entry 7156183

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Coordinates	7156183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9 I N2
Calculated formula	C10 H9 I N2
Title of publication	Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.
Authors of publication	Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	23
Pages of publication	4243 - 4260
a	8.7463 ± 0.0003 Å
b	9.1092 ± 0.0003 Å
c	13.1444 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1047.24 ± 0.06 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0132
Residual factor for significantly intense reflections	0.0126
Weighted residual factors for significantly intense reflections	0.0294
Weighted residual factors for all reflections included in the refinement	0.0296
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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