Crystallography Open Database

Information card for entry 7160126

Preview

Coordinates	7160126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cl N2 S
Calculated formula	C21 H17 Cl N2 S
Title of publication	A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source
Authors of publication	Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	38
Pages of publication	7791 - 7800
a	7.7958 ± 0.0009 Å
b	11.076 ± 0.0019 Å
c	11.1247 ± 0.0014 Å
α	101.374 ± 0.007°
β	107.36 ± 0.006°
γ	90.842 ± 0.008°
Cell volume	896 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	0.746
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
295342 (current)	2024-10-06	cif/ Updating files of 7160125, 7160126 Original log message: Adding full bibliography for 7160125--7160126.cif.	7160126.cif
294307	2024-08-31	cif/ Adding structures of 7160125, 7160126 via cif-deposit CGI script.	7160126.cif