Crystallography Open Database

Information card for entry 7160021

Preview

Coordinates	7160021.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	z
Formula	C17 H18 Cl N2 O S
Calculated formula	C17 H17 Cl N2 O S
Title of publication	Electrochemical oxidative thioetherification of aldehyde hydrazones with thiophenols.
Authors of publication	Hu, Meiqian; Yang, Xiaolin; Zhang, Shuai; Qin, Changsheng; Zhang, Zhihua; Wang, Jingfang; Ji, Fanghua; Jiang, Guangbin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	29
Pages of publication	5907 - 5912
a	5.3567 ± 0.0002 Å
b	14.2027 ± 0.0005 Å
c	21.0025 ± 0.0008 Å
α	90°
β	90.995 ± 0.004°
γ	90°
Cell volume	1597.62 ± 0.1 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 K
Number of distinct elements	6
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	0.0492
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
293921 (current)	2024-08-05	cif/ Updating files of 7160021 Original log message: Adding full bibliography for 7160021.cif.	7160021.cif
292724	2024-07-04	cif/ Adding structures of 7160021 via cif-deposit CGI script.	7160021.cif