Crystallography Open Database

Information card for entry 2023172

2023171 << 2023172 >> 2023173

Preview

Coordinates	2023172.cif
Original IUCr paper	HTML

Structure parameters

Common name	Dimethyl(phenyl)phosphine sulfide
Chemical name	Dimethyl(phenyl)phosphanethione
Formula	C8 H11 P S
Calculated formula	C8 H11 P S
SMILES	P(=S)(c1ccccc1)(C)C
Title of publication	Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide.
Authors of publication	Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 7
Pages of publication	755 - 758
a	6.2805 ± 0.0002 Å
b	7.6549 ± 0.0002 Å
c	19.3578 ± 0.0008 Å
α	90°
β	99.372 ± 0.002°
γ	90°
Cell volume	918.23 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294000 (current)	2024-08-07	cif/ Updating files of 2023172 Original log message: Adding full bibliography for 2023172.cif.	2023172.cif
292462	2024-06-19	cif/ Adding structures of 2023172 via cif-deposit CGI script.	2023172.cif