Crystallography Open Database

Information card for entry 2224884

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Structure parameters

Chemical name	1,3-Dibenzyl-2-methylbenzimidazolium chloride
Formula	C22 H21 Cl N2
Calculated formula	C22 H21 Cl N2
SMILES	[Cl-].n1(c([n+](c2c1cccc2)Cc1ccccc1)C)Cc1ccccc1
Title of publication	1,3-Dibenzyl-2-methylbenzimidazolium chloride
Authors of publication	Ennajih, Hamid; Bouhfid, Rachid; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	2
Pages of publication	o455
a	9.2539 ± 0.0002 Å
b	9.4677 ± 0.0002 Å
c	12.0984 ± 0.0003 Å
α	72.139 ± 0.001°
β	81.376 ± 0.001°
γ	64.605 ± 0.001°
Cell volume	911.2 ± 0.04 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	0.0521
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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