Crystallography Open Database

Information card for entry 7156020

Preview

Coordinates	7156020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cl N2 O3 S2
Calculated formula	C17 H17 Cl N2 O3 S2
SMILES	S(=O)(=O)(N1C(=N\c2ccc(Cl)cc2)\SC(C1)CO)c1ccc(cc1)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	10.9934 ± 0.0013 Å
b	15.541 ± 0.002 Å
c	10.7812 ± 0.0015 Å
α	90°
β	99.582 ± 0.004°
γ	90°
Cell volume	1816.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1339
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.1875
Weighted residual factors for all reflections included in the refinement	0.2073
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7156020.cif
204036	2017-12-07	cif/ Adding structures of 7156017, 7156018, 7156019, 7156020, 7156021 via cif-deposit CGI script.	7156020.cif