Crystallography Open Database

Information card for entry 7248943

Preview

Coordinates	7248943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Br0.07 Cl N O S0.07
Calculated formula	C2.66667 H2.4 Br0.266667 N0.533333 O0.533333 S0.266667
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	7.976 ± 0.003 Å
b	12.668 ± 0.004 Å
c	12.714 ± 0.004 Å
α	101.928 ± 0.006°
β	102.068 ± 0.006°
γ	105.796 ± 0.006°
Cell volume	1160.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.153
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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