Crystallography Open Database

Information card for entry 4515838

Preview

Coordinates	4515838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N2 O
Calculated formula	C15 H14 N2 O
SMILES	O(c1ccc(c2nc3n(ccc(c3)C)c2)cc1)C
Title of publication	Efficient Access to Imidazo[1,2- a]pyridines/pyrazines/pyrimidines via Catalyst-Free Annulation Reaction under Microwave Irradiation in Green Solvent.
Authors of publication	Rao, R. Nishanth; Mm, Balamurali; Maiti, Barnali; Thakuria, Ranjit; Chanda, Kaushik
Journal of publication	ACS combinatorial science
Year of publication	2018
Journal volume	20
Journal issue	3
Pages of publication	164 - 171
a	15.722 ± 0.002 Å
b	5.7944 ± 0.0007 Å
c	13.6813 ± 0.0017 Å
α	90°
β	100.711 ± 0.005°
γ	90°
Cell volume	1224.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0971
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
225938 (current)	2019-11-10	cif/ Adding structures of 4515838 via cif-deposit CGI script.	4515838.cif