Crystallography Open Database

Information card for entry 8105931

Preview

Coordinates	8105931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N2 O4
Calculated formula	C23 H22 N2 O4
SMILES	o1c(=O)ccc2ccc(OC)c(c12)C/C=C(/C=N/NC(=O)c1cc(ccc1)C)C
Title of publication	The crystal structure of N′-((1E,2E)-4-(7-methoxy-2-oxo-2H-chromen-8-yl)-2-methylbut-2-en-1-ylidene)-3-methylbenzohydrazide, C23H22N2O4
Authors of publication	Yu, Xiang; Zhao, You-Fang; Qin, Yan; Yan, Jing; Chen, Ya-Fang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	1039 - 1041
a	17.7478 ± 0.0004 Å
b	10.0041 ± 0.0002 Å
c	24.4749 ± 0.0006 Å
α	90°
β	111.111 ± 0.002°
γ	90°
Cell volume	4053.88 ± 0.17 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 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	0.0959
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
278698 (current)	2022-10-21	cif/ Adding structures of 8105931 via cif-deposit CGI script.	8105931.cif