Crystallography Open Database

Information card for entry 2023477

2023476 << 2023477 >> 2023478

Preview

Coordinates	2023477.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5,5-Diphenyl-3-(2-propyn-1-yl)imidazolidine-2,4-dione
Formula	C18 H14 N2 O2
Calculated formula	C18 H14 N2 O2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-3-(prop-2-yn-1-yl)imidazolidine-2,4-dione.
Authors of publication	El Moutaouakil Ala Allah, Abderrazzak; Massera, Chiara; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	412 - 416
a	11.3526 ± 0.0003 Å
b	12.0162 ± 0.0003 Å
c	13.3087 ± 0.0003 Å
α	97.08 ± 0.001°
β	114.406 ± 0.001°
γ	107.335 ± 0.001°
Cell volume	1513.47 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299925 (current)	2025-06-03	cif/ Updating files of 2023477 Original log message: Adding full bibliography for 2023477.cif.	2023477.cif
299396	2025-04-25	cif/ Adding structures of 2023477 via cif-deposit CGI script.	2023477.cif