Crystallography Open Database

Information card for entry 8105456

Preview

Coordinates	8105456.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-benzyl-3-(4-methoxystyryl)quinoxalin- 2(1<i>H</i>)-one
Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
SMILES	O=c1n(c2c(nc1/C=C/c1ccc(OC)cc1)cccc2)Cc1ccccc1
Title of publication	Synthesis and crystal structure of (E)-1-benzyl-3-(4-methoxystyryl)quinoxalin-2(1H)-one, C24H20N2O2
Authors of publication	Missioui, Mohcine; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1323 - 1325
a	11.1713 ± 0.0003 Å
b	17.7718 ± 0.0005 Å
c	10.9852 ± 0.0003 Å
α	90°
β	118.99 ± 0.001°
γ	90°
Cell volume	1907.67 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0617
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1477
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
276162 (current)	2022-06-23	cif/ Adding structures of 8105456 via cif-deposit CGI script.	8105456.cif