Crystallography Open Database

Information card for entry 8106025

Preview

Coordinates	8106025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Cl N2 O3
Calculated formula	C16 H15 Cl N2 O3
SMILES	Clc1ccc(C(=O)N/N=C/c2c(O)c(OCC)ccc2)cc1
Title of publication	Crystal structure of 4-chloro-N′-[(1E)-(3-ethoxy-2-hydroxyphenyl)methylidene]benzohydrazide – a Z′ = 3 structure, C16H15ClN2O3
Authors of publication	Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1341 - 1344
a	18.7178 ± 0.0002 Å
b	15.2296 ± 0.0002 Å
c	32.0558 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9137.97 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
279104 (current)	2022-11-08	cif/ Adding structures of 8106025 via cif-deposit CGI script.	8106025.cif