Crystallography Open Database

Information card for entry 2311518

Preview

Coordinates	2311518.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone
Formula	C15 H12 F N O2
Calculated formula	C15 H12 F N O2
SMILES	N(=C\c1c(O)ccc(F)c1)/c1cc(ccc1)C(=O)C
Title of publication	Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.
Authors of publication	Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1835 - 1839
a	14.9527 ± 0.0005 Å
b	5.5152 ± 0.0002 Å
c	16.6918 ± 0.0005 Å
α	90°
β	114.739 ± 0.002°
γ	90°
Cell volume	1250.19 ± 0.07 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
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	0.0677
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245952 (current)	2019-12-25	cif/ Adding structures of 2311518, 2311519 via cif-deposit CGI script.	2311518.cif