Crystallography Open Database

Information card for entry 7156889

Preview

Coordinates	7156889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 F N2
Calculated formula	C13 H9 F N2
Title of publication	Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.
Authors of publication	Samanta, Surya Kanta; Bera, Mrinal K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6441 - 6449
a	11.6177 ± 0.001 Å
b	14.1889 ± 0.0012 Å
c	6.2178 ± 0.0005 Å
α	90°
β	91.299 ± 0.002°
γ	90°
Cell volume	1024.69 ± 0.15 Å³
Cell temperature	293 ± 0.2 K
Ambient diffraction temperature	293 ± 0.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
225118 (current)	2019-11-08	cif/ Updating files of 7156889 Original log message: Adding full bibliography for 7156889.cif.	7156889.cif
215647	2019-06-01	cif/ Adding structures of 7156889 via cif-deposit CGI script.	7156889.cif