Crystallography Open Database

Information card for entry 8106084

Preview

Coordinates	8106084.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(<i>E</i>)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid
Formula	C16 H15 N O4
Calculated formula	C16 H15 N O4
SMILES	c1(c(c(ccc1)OCC)O)/C=N/c1ccc(cc1)C(=O)O
Title of publication	The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C16H15NO4
Authors of publication	Kirca, Başak Koşar
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	1
Pages of publication	157 - 158
a	4.996 ± 0.0004 Å
b	6.9139 ± 0.0005 Å
c	20.765 ± 0.0015 Å
α	83.718 ± 0.006°
β	84.805 ± 0.006°
γ	78.648 ± 0.006°
Cell volume	697.25 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.931
Diffraction radiation probe	x-ray
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
279258 (current)	2022-11-14	cif/ Adding structures of 8106084 via cif-deposit CGI script.	8106084.cif