Crystallography Open Database

Information card for entry 7219536

7219535 << 7219536 >> 7219537

Preview

Coordinates	7219536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 N O2 S
Calculated formula	C15 H17 N O2 S
SMILES	S=C(Nc1ccccc1)C1C(=O)CC(CC1=O)(C)C
Title of publication	[Et3NH][HSO4]-catalyzed eco-friendly and expeditious synthesis of thiazolidine and oxazolidine derivatives
Authors of publication	Malla, Ali Mohammed; Parveen, Mehtab; Ahmad, Faheem; Azaz, Shaista; Alam, Mahboob
Journal of publication	RSC Adv.
Year of publication	2015
a	7.298 ± 0.005 Å
b	9.09 ± 0.005 Å
c	10.762 ± 0.005 Å
α	75.5 ± 0.005°
β	78.979 ± 0.005°
γ	89.218 ± 0.005°
Cell volume	678 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
180526 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95.	7219536.cif
131708	2015-02-11	cif/ Adding structures of 7219536 via cif-deposit CGI script.	7219536.cif