Crystallography Open Database

Information card for entry 8106206

Preview

Coordinates	8106206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N2 O2
Calculated formula	C17 H18 N2 O2
SMILES	Cc1ccc(c(c1)/C=N/c1ccc(cc1)C(=N\OC)\C)O
Title of publication	Crystal structure of (E)-1-(4-(((E)-2-hydroxy-5-methylbenzylidene)amino)phenyl)ethan-1-oneO-methyl oxime, C17H18N2O2
Authors of publication	Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	533 - 534
a	33.536 ± 0.006 Å
b	7.0566 ± 0.001 Å
c	6.1491 ± 0.001 Å
α	90°
β	91.048 ± 0.005°
γ	90°
Cell volume	1454.9 ± 0.4 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	0.0839
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
279487 (current)	2022-11-23	cif/ Adding structures of 8106206 via cif-deposit CGI script.	8106206.cif