Crystallography Open Database

Information card for entry 2022668

2022667 << 2022668 >> 2022669

Preview

Coordinates	2022668.cif
Original IUCr paper	HTML

Structure parameters

Common name	(<i>E</i>)-2-Methyl-4-[4-(trifluoromethyl)styryl]quinoline
Chemical name	(<i>E</i>)-2-Methyl-4-{2-[4-(trifluoromethyl)phenyl]ethenyl}quinoline
Formula	C19 H14 F3 N
Calculated formula	C19 H14 F3 N
SMILES	n1c(cc(c2ccccc12)/C=C/c1ccc(cc1)C(F)(F)F)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	17.2696 ± 0.001 Å
b	10.8096 ± 0.0007 Å
c	16.1495 ± 0.0008 Å
α	90°
β	91.44 ± 0.002°
γ	90°
Cell volume	3013.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1213
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
277788 (current)	2022-09-13	cif/ hkl/ Adding structures of 2022667, 2022668, 2022669 via cif-deposit CGI script.	2022668.cif