Crystallography Open Database

Information card for entry 7155496

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Structure parameters

Formula	C14 H9 Cl N2
Calculated formula	C14 H9 Cl N2
SMILES	Clc1cc2ncc(nc2cc1)c1ccccc1
Title of publication	Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.
Authors of publication	Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	10
Pages of publication	2259 - 2268
a	9.5475 ± 0.0013 Å
b	4.7592 ± 0.0005 Å
c	12.4973 ± 0.0018 Å
α	90°
β	103.477 ± 0.013°
γ	90°
Cell volume	552.22 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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