Crystallography Open Database

Information card for entry 8105087

Preview

Coordinates	8105087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 F N2 O2
Calculated formula	C16 H15 F N2 O2
SMILES	Fc1cc(O)c(cc1)/C=N/c1ccc(cc1)C(=N\OC)\C
Title of publication	Crystal structure of (E)-1-{4-[(4-fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15FN2O2
Authors of publication	Fu, Tao; Ma, Jin-Xia; Li, Qing-Lin; Wei, Ping; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	293 - 295
a	6.0573 ± 0.0003 Å
b	13.8341 ± 0.0006 Å
c	33.0876 ± 0.0015 Å
α	90°
β	92.837 ± 0.002°
γ	90°
Cell volume	2769.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.1
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
274751 (current)	2022-04-28	cif/ Adding structures of 8105087 via cif-deposit CGI script.	8105087.cif