Crystallography Open Database

Information card for entry 7240487

Preview

Coordinates	7240487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cl N6 O5 S
Calculated formula	C17 H19 Cl N6 O5 S
SMILES	S(=O)(=O)(NC(=O)Nc1nc(nc(OC)n1)C)c1c(Cl)ccc(N(C(=O)C2CC2)C)c1
Title of publication	Research on the controllable degradation of N-methylamido and dialkylamino substituted at the 5th position of the benzene ring in chlorsulfuron in acidic soil
Authors of publication	Meng, Fan-Fei; Wu, Lei; Gu, Yu-Cheng; Zhou, Sha; Li, Yong-Hong; Chen, Ming-Gui; Zhou, Shaa; Zhao, Yang-Yang; Ma, Yi; Li, Zheng-Ming
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	30
Pages of publication	17870 - 17880
a	7.8939 ± 0.0016 Å
b	8.9985 ± 0.0018 Å
c	14.466 ± 0.003 Å
α	85.32 ± 0.03°
β	81.63 ± 0.03°
γ	72.73 ± 0.03°
Cell volume	970 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
258097 (current)	2020-10-06	cif/ Updating files of 7240487, 7240488 Original log message: Adding full bibliography for 7240487--7240488.cif.	7240487.cif
251887	2020-05-07	cif/ Adding structures of 7240487, 7240488 via cif-deposit CGI script.	7240487.cif