Crystallography Open Database

Information card for entry 1570232

Preview

Coordinates	1570232.cif
Original IUCr paper	HTML

Structure parameters

Common name	6,7-Diphenyl-5λ^6^-thia-7-azaspiro[2.6]nonane-5,5,8-trione
Chemical name	6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide
Formula	C19 H19 N O3 S
Calculated formula	C19 H19 N O3 S
Title of publication	6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one 5,5-dioxide
Authors of publication	Yennawar, Hemant P.; Russell, Michael W.; Silverberg, Lee J.
Journal of publication	IUCrData
Year of publication	2023
Journal volume	8
Journal issue	10
Pages of publication	x230937
a	10.125 ± 0.005 Å
b	11.222 ± 0.005 Å
c	15.995 ± 0.007 Å
α	79.117 ± 0.008°
β	83.484 ± 0.009°
γ	72.829 ± 0.008°
Cell volume	1701.9 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 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	0.1567
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1570232.cif
287196	2023-11-01	cif/ Adding structures of 1570232 via cif-deposit CGI script.	1570232.cif