Crystallography Open Database

Information card for entry 7248589

Preview

Coordinates	7248589.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(4,5-dimethylthiazol-2-yl)piperidine-2,6-dione
Formula	C10 H12 N2 O2 S
Calculated formula	C10 H12 N2 O2 S
SMILES	s1c(N2C(=O)CCCC2=O)nc(c1C)C
Title of publication	A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties
Authors of publication	Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	23
Pages of publication	3069 - 3076
a	11.0048 ± 0.0007 Å
b	9.1927 ± 0.0007 Å
c	21.2407 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2148.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
292983 (current)	2024-07-05	cif/ Updating files of 7248586, 7248587, 7248588, 7248589, 7248590 Original log message: Adding full bibliography for 7248586--7248590.cif.	7248589.cif
291742	2024-05-07	cif/ Adding structures of 7248586, 7248587, 7248588, 7248589, 7248590 via cif-deposit CGI script.	7248589.cif