Crystallography Open Database

Information card for entry 8106711

Preview

Coordinates	8106711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O2
Calculated formula	C19 H16 N2 O2
SMILES	Oc1c(c2ccccc2cc1)/C=N/c1ccc(cc1)/C(=N/O)C
Title of publication	Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1-naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2
Authors of publication	Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	891 - 892
a	14.1712 ± 0.0006 Å
b	7.3611 ± 0.0003 Å
c	14.4212 ± 0.0008 Å
α	90°
β	90.665 ± 0.005°
γ	90°
Cell volume	1504.26 ± 0.12 Å³
Cell temperature	290.92 ± 0.1 K
Ambient diffraction temperature	290.92 ± 0.1 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	0.105
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
280812 (current)	2023-02-08	cif/ Adding structures of 8106711 via cif-deposit CGI script.	8106711.cif