Crystallography Open Database

Information card for entry 2311624

Preview

Coordinates	2311624.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-benzimidazole
Formula	C20 H16 N2 O
Calculated formula	C20 H16 N2 O
SMILES	COc1ccc(cc1)c1n(c2c(cccc2)n1)c1ccccc1
Title of publication	2-(4-Meth-oxy-phen-yl)-1-phenyl-1H-benzimidazole.
Authors of publication	Mohandas, T.; Jayamoorthy, K.; Jayabharathi, J.; Sakthivel, P.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 2
Pages of publication	o269 - 70
a	12.322 ± 0.0003 Å
b	7.303 ± 0.0002 Å
c	18.245 ± 0.0003 Å
α	90°
β	108.909 ± 0.001°
γ	90°
Cell volume	1553.22 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0437
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
246038 (current)	2019-12-26	cif/ Adding structures of 2311624 via cif-deposit CGI script.	2311624.cif