Crystallography Open Database

Information card for entry 2023548

2023547 << 2023548 >> 2023549

Preview

Coordinates	2023548.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-(Ethylsulfanyl)-3-(2-methylpropyl)-5,5-diphenyl-4,5-dihydro-3<i>H</i>-imidazol-4-one
Formula	C21 H24 N2 O S
Calculated formula	C21 H24 N2 O S
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 2-(ethylsulfanyl)-3-(2-methylpropyl)-5,5-diphenyl-4,5-dihydro-3H-imidazol-4-one
Authors of publication	El Moutaouakil Ala Allah, Abderrazzak; Massera, Chiara; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2026
Journal volume	82
Journal issue	10
a	12.7849 ± 0.0004 Å
b	10.177 ± 0.0004 Å
c	14.4793 ± 0.0005 Å
α	90°
β	93.627 ± 0.001°
γ	90°
Cell volume	1880.16 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.065
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
306849 (current)	2026-09-03	cif/ Adding structures of 2023548 via cif-deposit CGI script.	2023548.cif