Crystallography Open Database

Information card for entry 2023491

2023490 << 2023491 >> 2023492

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Coordinates	2023491.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,1'-[Oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1<i>H</i>-benzo[<i>d</i>]imidazole)
Formula	C20 H22 N4 O S2
Calculated formula	C20 H22 N4 O S2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 1,1′-[oxybis(ethane-2,1-diyl)]bis(2-methylsulfanyl-1H-benzo[d]imidazole)
Authors of publication	Moussaif, Ahmed; El Ghayati, Lhoussaine; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	6
a	10.6654 ± 0.0012 Å
b	13.5974 ± 0.0015 Å
c	15.7917 ± 0.0017 Å
α	109.206 ± 0.002°
β	101.687 ± 0.002°
γ	107.789 ± 0.002°
Cell volume	1938.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1065
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299504 (current)	2025-05-03	cif/ Adding structures of 2023491 via cif-deposit CGI script.	2023491.cif