Crystallography Open Database

Information card for entry 1569775

Preview

Coordinates	1569775.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-(2-Bromoethyl)-5,5-diphenylimidazolidine-2,4-dione
Formula	C17 H15 Br N2 O2
Calculated formula	C17 H15 Br N2 O2
SMILES	BrCCN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1
Title of publication	3-(2-Bromo-eth-yl)-5,5-di-phenyl-imidazolidine-2,4-dione.
Authors of publication	Guerrab, Walid; El Moutaouakil Ala Allah, Abderrazzak; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	Pt 1
Pages of publication	x230060
a	13.7083 ± 0.0005 Å
b	8.65 ± 0.0003 Å
c	14.1183 ± 0.0005 Å
α	90°
β	99.724 ± 0.001°
γ	90°
Cell volume	1650.05 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0715
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
286006 (current)	2023-09-05	cif/ Adding structures of 1569775 via cif-deposit CGI script.	1569775.cif