Crystallography Open Database

Information card for entry 2311523

Preview

Coordinates	2311523.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(<i>Z</i>)-2-[2-(Morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one
Formula	C9 H12 N2 O3 S
Calculated formula	C9 H12 N2 O3 S
SMILES	S1/C(=C\C(=O)N2CCOCC2)NC(=O)C1
Title of publication	Crystal structures of two (<i>Z</i>)-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.
Authors of publication	Galushchinskiy, Aleksei; Slepukhin, Pavel; Obydennov, Konstantin
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1850 - 1854
a	9.974 ± 0.0004 Å
b	11.2175 ± 0.0004 Å
c	9.3155 ± 0.0004 Å
α	90°
β	100.389 ± 0.004°
γ	90°
Cell volume	1025.16 ± 0.07 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0617
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245954 (current)	2019-12-25	cif/ Adding structures of 2311522, 2311523 via cif-deposit CGI script.	2311523.cif