Crystallography Open Database

Information card for entry 7239006

Preview

Coordinates	7239006.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	S-3-benzyl-4-methyl-1,3-oxazolidine-2-thione, compound 11
Formula	C11 H13 N O S
Calculated formula	C11 H13 N O S
Title of publication	Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
Authors of publication	Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	47
Pages of publication	24997
a	19.5407 ± 0.0009 Å
b	8.005 ± 0.0004 Å
c	6.7851 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1061.35 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
244505 (current)	2019-11-28	cif/ Adding structures of 7239006, 7239007, 7239008, 7239009, 7239010, 7239011, 7239012 via cif-deposit CGI script.	7239006.cif