Crystallography Open Database

Information card for entry 2238601

Preview

Coordinates	2238601.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-(3,5-Dimethoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole
Formula	C19 H20 N2 O2
Calculated formula	C19 H20 N2 O2
SMILES	COc1cc(OC)cc(c1)n1c(nc(c1C)C)c1ccccc1
Title of publication	1-(3,5-Dimethoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole
Authors of publication	Divya, G.; Saravanan, K.; Santhiya, S.; Chandralekha, K.; Lakshmi, S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1502
a	8.363 ± 0.005 Å
b	10.267 ± 0.005 Å
c	10.481 ± 0.005 Å
α	75.043 ± 0.005°
β	75.789 ± 0.005°
γ	74.576 ± 0.005°
Cell volume	822.9 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238601.cif
89535	2013-11-06	cif/ Adding structures of 2238601 via cif-deposit CGI script.	2238601.cif