Crystallography Open Database

Information card for entry 1558638

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Structure parameters

Chemical name	3-Methoxy-1-phenylpyridin-2(1H)-one
Formula	C12 H11 N O2
Calculated formula	C12 H11 N O2
SMILES	O=c1n(cccc1OC)c1ccccc1
Title of publication	N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions
Authors of publication	Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu
Journal of publication	Chemical Science
Year of publication	2020
a	6.571 ± 0.003 Å
b	12.434 ± 0.005 Å
c	12.168 ± 0.006 Å
α	90°
β	93.376 ± 0.007°
γ	90°
Cell volume	992.4 ± 0.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
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	0.0925
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558638.cif
254449	2020-07-22	cif/ Adding structures of 1558638, 1558639, 1558640 via cif-deposit CGI script.	1558638.cif