Crystallography Open Database

Information card for entry 8105523

Preview

Coordinates	8105523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3 O4
Calculated formula	C16 H15 N3 O4
SMILES	O(/N=C(/c1ccc(/N=C/c2c(O)ccc(N(=O)=O)c2)cc1)C)C
Title of publication	Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4
Authors of publication	Wei, Ping; Li, Qing-Lin; Ma, Jin-Xia; Fu, Tao; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	234
Journal issue	1
Pages of publication	9 - 10
a	6.473 ± 0.0005 Å
b	8.1564 ± 0.0006 Å
c	27.511 ± 0.002 Å
α	90°
β	90.113 ± 0.002°
γ	90°
Cell volume	1452.48 ± 0.19 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 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	0.0926
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
276275 (current)	2022-06-27	cif/ Adding structures of 8105523 via cif-deposit CGI script.	8105523.cif