Crystallography Open Database

Information card for entry 2023066

2023065 << 2023066 >> 2023067

Preview

Coordinates	2023066.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-[2-(Morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
Formula	C21 H23 N3 O3
Calculated formula	C21 H23 N3 O3
Title of publication	Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.
Authors of publication	Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	423 - 429
a	8.444 ± 0.0003 Å
b	14.3013 ± 0.0005 Å
c	15.4233 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1862.52 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
291716 (current)	2024-05-06	cif/ Updating files of 2023066 Original log message: Adding full bibliography for 2023066.cif.	2023066.cif
290672	2024-03-27	cif/ Adding structures of 2023066 via cif-deposit CGI script.	2023066.cif