Crystallography Open Database

Information card for entry 2213063

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Structure parameters

Chemical name	2-(Quinoxalin-2-yl)-1-[2-(quinoxalin-2-yl)methyl]-1H-benzimidazole
Formula	C24 H16 N6
Calculated formula	C24 H16 N6
SMILES	n1c(c2nc3c(n2Cc2nc4c(nc2)cccc4)cccc3)cnc2c1cccc2
Title of publication	2-(Quinoxalin-2-yl)-1-[2-(quinoxalin-2-yl)methyl]-1<i>H</i>-benzimidazole
Authors of publication	Ling Xie; Gang Liu; Yan Wang; Ji-De Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	o1708 - o1709
a	6.8336 ± 0.0003 Å
b	11.243 ± 0.0006 Å
c	13.2527 ± 0.0009 Å
α	114.235 ± 0.001°
β	92.859 ± 0.002°
γ	96.397 ± 0.002°
Cell volume	917.54 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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