Crystallography Open Database

Information card for entry 7240049

Preview

Coordinates	7240049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N4 O
Calculated formula	C20 H16 N4 O
SMILES	c12cccc3n2c(c(c2cccc(c2)C#N)n1)N=C1C(CCCC1)O3
Title of publication	Efficient one-pot synthesis of functionalised imidazo[1,2-a]pyridines and unexpected synthesis of novel tetracyclic derivatives by nucleophilic aromatic substitution
Authors of publication	Changunda, Charles R. K.; Venkatesh, B. C.; Mokone, William K.; Rousseau, Amanda L.; Brady, Dean; Fernandes, Manuel A.; Bode, Moira L.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	14
Pages of publication	8104 - 8114
a	12.0432 ± 0.0007 Å
b	7.3016 ± 0.0004 Å
c	18.3346 ± 0.0012 Å
α	90°
β	96.116 ± 0.004°
γ	90°
Cell volume	1603.07 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.1629
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	0.716
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
258088 (current)	2020-10-06	cif/ Updating files of 7240048, 7240049 Original log message: Adding full bibliography for 7240048--7240049.cif.	7240049.cif
248789	2020-03-05	cif/ Adding structures of 7240048, 7240049 via cif-deposit CGI script.	7240049.cif