Crystallography Open Database

Information card for entry 2311124

Preview

Coordinates	2311124.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1<i>H</i>-imidazol- 5(4<i>H</i>)-one ethanol hemisolvate
Formula	C19 H20 N3 O1.5
Calculated formula	C19 H20 N3 O1.5
SMILES	O=C1NC(=N/C1=C(N)\c1cc(ccc1)C)c1cc(ccc1)C.OCC
Title of publication	4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.
Authors of publication	Prabhuswamy, M.; Madan Kumar, S.; Muneer, C. P.; Shafi, P. M.; Lokanath, N. K.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 2
Pages of publication	o174
a	8.227 ± 0.004 Å
b	13.505 ± 0.007 Å
c	16.044 ± 0.008 Å
α	87.451 ± 0.008°
β	78.869 ± 0.009°
γ	80.241 ± 0.009°
Cell volume	1723.6 ± 1.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.1002
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1976
Weighted residual factors for all reflections included in the refinement	0.2268
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
245596 (current)	2019-12-25	cif/ Adding structures of 2311124 via cif-deposit CGI script.	2311124.cif