Crystallography Open Database

Information card for entry 8106558

Preview

Coordinates	8106558.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-acetyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one
Formula	C15 H17 F N2 O4
Calculated formula	C15 H17 F N2 O4
SMILES	Fc1c(N2CCOCC2)ccc(N2C(=O)OC(C2)C(=O)C)c1
Title of publication	Crystal structure of 5-acetyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, C15H17FN2O4
Authors of publication	Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Tricia, Naicker
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	3
Pages of publication	427 - 428
a	12.4266 ± 0.0011 Å
b	6.6865 ± 0.0005 Å
c	17.151 ± 0.0015 Å
α	90°
β	99.288 ± 0.002°
γ	90°
Cell volume	1406.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0636
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1139
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280534 (current)	2023-01-23	cif/ Adding structures of 8106558 via cif-deposit CGI script.	8106558.cif