Crystallography Open Database

Information card for entry 7062870

Preview

Coordinates	7062870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N2 O2
Calculated formula	C10 H10 N2 O2
SMILES	O=C1Nc2ccccc2N(CC)C1=O
Title of publication	Ionic liquid-catalysed regioselective oxygenation of quinoxalin-2(1H)-ones under visible-light conditions
Authors of publication	Badhani, Gaurav; Biramya, Valvi Mangesh; Adimurthy, Subbarayappa
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	47
Pages of publication	21596 - 21599
a	4.8051 ± 0.0003 Å
b	11.2889 ± 0.0008 Å
c	16.6472 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	903.02 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 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	0.0533
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7062870.html