Crystallography Open Database

Information card for entry 2023075

2023074 << 2023075 >> 2023076

Preview

Coordinates	2023075.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-Phenyl-2-(phenylsulfanyl)acetamide
Formula	C14 H13 N O S
Calculated formula	C14 H13 N O S
Title of publication	Synthesis and crystal structure of <i>N</i>-phenyl-2-(phenyl-sulfan-yl)acetamide.
Authors of publication	Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Elgemeie, Galal H.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	392 - 395
a	5.6768 ± 0.0003 Å
b	12.0747 ± 0.0006 Å
c	18.1912 ± 0.0009 Å
α	87.071 ± 0.004°
β	82.11 ± 0.004°
γ	81.11 ± 0.004°
Cell volume	1219.72 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0778
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
291732 (current)	2024-05-06	cif/ Updating files of 2023075 Original log message: Adding full bibliography for 2023075.cif.	2023075.cif
290680	2024-03-27	cif/ Adding structures of 2023075 via cif-deposit CGI script.	2023075.cif