Crystallography Open Database

Information card for entry 2240738

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Structure parameters

Chemical name	2-(4-Chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole
Formula	C13 H8 Cl F N2
Calculated formula	C13 H8 Cl F N2
Title of publication	Crystal structure of 2-(4-chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole
Authors of publication	Krishnamurthy, M. S.; Begum, Noor Shahina
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	o387 - o388
a	9.2302 ± 0.0004 Å
b	9.85 ± 0.0004 Å
c	23.1347 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2103.35 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0454
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2240738.cif 2240738.hkl
181907	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240738.cif 2240738.hkl
136900	2015-05-18	cif/ hkl/ Adding structures of 2240738 via cif-deposit CGI script.	2240738.cif 2240738.hkl