Crystallography Open Database

Information card for entry 2311145

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Structure parameters

Chemical name	2-(2,6-Dichlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole
Formula	C26 H24 Cl2 N2
Calculated formula	C26 H24 Cl2 N2
SMILES	Clc1c(c2n(c(c(n2)c2ccccc2)c2ccccc2)CCCCC)c(Cl)ccc1
Title of publication	2-(2,6-Di-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.
Authors of publication	Akkurt, Mehmet; Mohamed, Shaaban K.; Singh, Kuldip; Marzouk, Adel A.; Abdelhamid, Antar A.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 6
Pages of publication	o846 - 7
a	20.172 ± 0.006 Å
b	15.947 ± 0.005 Å
c	14.5 ± 0.005 Å
α	90°
β	105.293 ± 0.007°
γ	90°
Cell volume	4499 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	0.842
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311145.cif
245617	2019-12-25	cif/ Adding structures of 2311145 via cif-deposit CGI script.	2311145.cif