Crystallography Open Database

Information card for entry 2240733

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Structure parameters

Chemical name	2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole
Formula	C13 H8 F2 N2
Calculated formula	C13 H8 F2 N2
SMILES	Fc1ccc(c2[nH]c3c(n2)cccc3)cc1F
Title of publication	2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole
Authors of publication	Krishnamurthy, M. S.; Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1689
a	8.7195 ± 0.0017 Å
b	9.9454 ± 0.0019 Å
c	23.389 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2028.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240733.cif 2240733.hkl
136894	2015-05-18	cif/ hkl/ Adding structures of 2240733 via cif-deposit CGI script.	2240733.cif 2240733.hkl