Crystallography Open Database

Information card for entry 7156021

Preview

Coordinates	7156021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Cl N2 O2 S2
Calculated formula	C18 H19 Cl N2 O2 S2
SMILES	S(=O)(=O)(N1/C(=N/c2ccc(cc2)C)SCC1)c1c(C)cc(Cl)c(c1)C
Title of publication	Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.
Authors of publication	Anitha, Mandala; Swamy, K. C. Kumara
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	3
Pages of publication	402 - 413
a	17.218 ± 0.007 Å
b	7.657 ± 0.003 Å
c	14.611 ± 0.006 Å
α	90°
β	103.225 ± 0.012°
γ	90°
Cell volume	1875.2 ± 1.3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	6
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	0.1276
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
230882 (current)	2019-11-17	cif/ Updating files of 7156017, 7156018, 7156019, 7156020, 7156021 Original log message: Adding full bibliography for 7156017--7156021.cif.	7156021.cif
204036	2017-12-07	cif/ Adding structures of 7156017, 7156018, 7156019, 7156020, 7156021 via cif-deposit CGI script.	7156021.cif