Crystallography Open Database

Information card for entry 8106625

Preview

Coordinates	8106625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N2 O3
Calculated formula	C17 H22 N2 O3
Title of publication	Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C17H22N2O3
Authors of publication	Wang, Shi-Han; Jin, Xiang-Qun; Wang, Yan-Wei; Wang, Yong-Sheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	633 - 635
a	18.419 ± 0.004 Å
b	5.7524 ± 0.0012 Å
c	17.575 ± 0.004 Å
α	90°
β	117.267 ± 0.003°
γ	90°
Cell volume	1655.2 ± 0.6 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	4
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	0.1158
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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