Crystallography Open Database

Information card for entry 7155108

Preview

Coordinates	7155108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 I N2 S
Calculated formula	C15 H9 I N2 S
SMILES	Ic1nc2sc3c(n2c1c1ccccc1)cccc3
Title of publication	Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.
Authors of publication	Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	22
Pages of publication	5073 - 5078
a	10.5054 ± 0.0006 Å
b	13.8935 ± 0.0009 Å
c	14.8405 ± 0.001 Å
α	102.826 ± 0.004°
β	105.411 ± 0.004°
γ	94.441 ± 0.004°
Cell volume	2014.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183751 (current)	2016-06-18	cif/ Updating files of 7155106, 7155107, 7155108 Original log message: Adding full bibliography for 7155106--7155108.cif.	7155108.cif
182834	2016-05-07	cif/ Adding structures of 7155106, 7155107, 7155108 via cif-deposit CGI script.	7155108.cif