Crystallography Open Database

Information card for entry 2213089

Preview

Structure parameters

Chemical name	2,3-Bis(4-chlorophenyl)quinoxaline
Formula	C20 H12 Cl2 N2
Calculated formula	C20 H12 Cl2 N2
SMILES	Clc1ccc(c2nc3ccccc3nc2c2ccc(Cl)cc2)cc1
Title of publication	2,3-Bis(4-chlorophenyl)quinoxaline
Authors of publication	Hong-Bin Zhao; Zhi-Zhi Hu; Xing Chen; Cui-Ping Wang; Zhi-Qiang Zhang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	5
Pages of publication	o2488 - o2489
a	5.9282 ± 0.0006 Å
b	11.9737 ± 0.0012 Å
c	12.0247 ± 0.0013 Å
α	104.764 ± 0.007°
β	92.259 ± 0.007°
γ	95.778 ± 0.007°
Cell volume	819.29 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2213089.html