Crystallography Open Database

Information card for entry 2012596

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Structure parameters

Common name	Magnet-5
Chemical name	dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide
Formula	C18 H16 N4 O2
Calculated formula	C18 H16 N4 O2
SMILES	C1C2(CCC3(C1)N(=C1C=CC=CC1=N3)=O)N(=O)=C1C=CC=CC1=N2
Title of publication	Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide
Authors of publication	Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	o183 - o186
a	5.416 ± 0.002 Å
b	7.29 ± 0.002 Å
c	10.426 ± 0.003 Å
α	104.39 ± 0.03°
β	104.15 ± 0.03°
γ	98.41 ± 0.03°
Cell volume	377.1 ± 0.2 Å³
Cell temperature	293 ± 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	0.0936
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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