Crystallography Open Database

Information card for entry 2023280

2023279 << 2023280 >> 2023281

Preview

Coordinates	2023280.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-Benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-2,4-dione
Formula	C25 H23 Br N2 O2
Calculated formula	C25 H23 Br N2 O2
Title of publication	Crystal structure and Hirshfeld surface analyses, crystal voids, intermolecular interaction energies and energy frameworks of 3-benzyl-1-(3-bromopropyl)-5,5-diphenylimidazolidine-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	11
Pages of publication	1118 - 1124
a	9.4306 ± 0.0003 Å
b	8.5084 ± 0.0003 Å
c	26.7891 ± 0.001 Å
α	90°
β	93.27 ± 0.001°
γ	90°
Cell volume	2146.04 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
296773 (current)	2024-12-07	cif/ Updating files of 2023280 Original log message: Adding full bibliography for 2023280.cif.	2023280.cif
295457	2024-10-12	cif/ Adding structures of 2023280 via cif-deposit CGI script.	2023280.cif