Crystallography Open Database

Information card for entry 8104983

Preview

Coordinates	8104983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N2 O2
Calculated formula	C16 H16 N2 O2
Title of publication	Crystal structure of 2-((E)-(((E)-2-hydroxy-4-methylbenzylidene) hydrazineylidene)methyl)-4-methylphenol, C16H16N2O2
Authors of publication	Jin, Ze-Sen; Liu, Xiao-jing; Liu, E.; Jian, Fang-fang; Liang, Tongling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	1
Pages of publication	141 - 142
a	8.6766 ± 0.0001 Å
b	5.9039 ± 0.0001 Å
c	13.3603 ± 0.0002 Å
α	90°
β	96.166 ± 0.001°
γ	90°
Cell volume	680.432 ± 0.017 Å³
Cell temperature	169.98 ± 0.11 K
Ambient diffraction temperature	169.98 ± 0.11 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	0.0409
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274196 (current)	2022-04-01	cif/ Adding structures of 8104983 via cif-deposit CGI script.	8104983.cif