Crystallography Open Database

Information card for entry 7061273

Preview

Coordinates	7061273.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[2-phenylimidazo[1,2-a]pyridin-3-yl]sulfane
Formula	C26 H18 N4 S
Calculated formula	C26 H18 N4 S
SMILES	c1cccc2n1c(c(c1ccccc1)n2)Sc1c(c2ccccc2)nc2ccccn12
Title of publication	Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur
Authors of publication	Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	10
Pages of publication	4784 - 4791
a	11.9878 ± 0.0011 Å
b	13.8358 ± 0.0016 Å
c	12.521 ± 0.0014 Å
α	90°
β	101.924 ± 0.004°
γ	90°
Cell volume	2031.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
275006 (current)	2022-05-05	cif/ Updating files of 7061272, 7061273 Original log message: Adding full bibliography for 7061272--7061273.cif.	7061273.cif
272801	2022-02-05	cif/ Adding structures of 7061272, 7061273 via cif-deposit CGI script.	7061273.cif