Crystallography Open Database

Information card for entry 2311162

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Structure parameters

Chemical name	2-(4-Chlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole
Formula	C26 H25 Cl N2
Calculated formula	C26 H25 Cl N2
SMILES	Clc1ccc(c2n(c(c(n2)c2ccccc2)c2ccccc2)CCCCC)cc1
Title of publication	2-(4-Chloro-phen-yl)-1-pentyl-4,5-di-phenyl-1H-imidazole.
Authors of publication	Mohamed, Shaaban K.; Akkurt, Mehmet; 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 8
Pages of publication	o1243
a	10.471 ± 0.002 Å
b	9.7798 ± 0.0019 Å
c	21.682 ± 0.004 Å
α	90°
β	91.08 ± 0.004°
γ	90°
Cell volume	2219.9 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	0.887
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.	2311162.cif
245634	2019-12-25	cif/ Adding structures of 2311162 via cif-deposit CGI script.	2311162.cif