Crystallography Open Database

Information card for entry 8106862

Preview

Coordinates	8106862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O3
Calculated formula	C19 H15 N O3
SMILES	[O-]c1c(c2c(cc1)cccc2)/C=[NH+]/c1c(O)c(ccc1)C(=O)C
Title of publication	Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
Authors of publication	Li, Gang; Zhou, Wei-Min; Zhu, Li-Chun; Wang, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	315 - 317
a	9.1811 ± 0.0004 Å
b	16.0396 ± 0.0006 Å
c	10.133 ± 0.0005 Å
α	90°
β	98.64 ± 0.005°
γ	90°
Cell volume	1475.26 ± 0.11 Å³
Cell temperature	294.29 ± 0.1 K
Ambient diffraction temperature	294.29 ± 0.1 K
Number of distinct elements	4
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	0.0816
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1373
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

Version history

Revision	Date	Message	Files
281697 (current)	2023-03-07	cif/ Adding structures of 8106862 via cif-deposit CGI script.	8106862.cif