Crystallography Open Database

Information card for entry 7248944

Preview

Coordinates	7248944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Cl0 N O S0.08
Calculated formula	C1.84615 H1.84615 N0.307692 O0.615385 S0.153846
Title of publication	N-Sulfonylation of azoles with sulfonyl hydrazides enabled by electrocatalysis
Authors of publication	Huang, Cheng; Kang, Chen; Liu, Hong-Jun; Wang, Chen-Lu; Tang, Sheng; Qin, Yu-Shu; Wei, Zhenhong; Cai, Hu
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	8706 - 8710
a	7.3939 ± 0.0016 Å
b	7.7731 ± 0.0017 Å
c	13.16 ± 0.003 Å
α	84.179 ± 0.004°
β	73.9 ± 0.003°
γ	63.163 ± 0.003°
Cell volume	648.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0511
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248944.html