Crystallography Open Database

Information card for entry 8106413

Preview

Coordinates	8106413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N2 O4
Calculated formula	C19 H14 N2 O4
SMILES	c1(ccccc1)Oc1ccccc1/N=C/c1c(ccc(c1)N(=O)=O)O
Title of publication	Crystal structure of (E)-4-nitro-2-((2-phenoxyphenylimino)methyl)phenol, C19H14N2O4
Authors of publication	Köysal, Yavuz; Bülbül, Hakan; Kantar, Esen Nur; Coşkun, Emine; Şahin, Songül; Dege, Necmi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	9 - 10
a	11.8219 ± 0.0012 Å
b	6.121 ± 0.0004 Å
c	22.356 ± 0.002 Å
α	90°
β	94.403 ± 0.008°
γ	90°
Cell volume	1612.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1662
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	0.857
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
280142 (current)	2023-01-06	cif/ Adding structures of 8106413 via cif-deposit CGI script.	8106413.cif