Crystallography Open Database

Information card for entry 8106704

Preview

Coordinates	8106704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 N O3
Calculated formula	C15 H13 N O3
SMILES	Oc1ccccc1/C=N/c1c(O)c(ccc1)C(=O)C
Title of publication	Crystal structure of (E)-1-(2-hydroxy-3-{[2-hydroxybenzylidene]amino}phenyl)ethan-1-one, C15H13NO3
Authors of publication	Yang, Yu-Hua; Akogun, Sunday Folaranmi; Dong, Wen-Kui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	867 - 868
a	7.5158 ± 0.0006 Å
b	6.394 ± 0.0005 Å
c	25.881 ± 0.003 Å
α	90°
β	93.243 ± 0.008°
γ	90°
Cell volume	1241.7 ± 0.2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 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	0.0842
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
280804 (current)	2023-02-07	cif/ Adding structures of 8106704 via cif-deposit CGI script.	8106704.cif