Crystallography Open Database

Information card for entry 2022667

2022666 << 2022667 >> 2022668

Preview

Coordinates	2022667.cif
Original IUCr paper	HTML

Structure parameters

Common name	(<i>E</i>)-4-(4-Fluorostyryl)-2-methylquinoline
Chemical name	(<i>E</i>)-4-[2-(4-Fluorophenyl)ethenyl]-2-methylquinoline
Formula	C18 H14 F N
Calculated formula	C18 H14 F N
SMILES	n1c(cc(c2ccccc12)/C=C/c1ccc(F)cc1)C
Title of publication	Synthesis and spectroscopic and structural characterization of three new 2-methyl-4-styrylquinolines formed using Friedländer reactions between (2-aminophenyl)chalcones and acetone
Authors of publication	Vera, Diana Rocío; Mantilla, Juan P.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	10
a	13.5921 ± 0.0007 Å
b	12.7103 ± 0.0006 Å
c	7.6215 ± 0.0003 Å
α	90°
β	103.133 ± 0.002°
γ	90°
Cell volume	1282.25 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0588
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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