Crystallography Open Database

Information card for entry 7226398

Preview

Coordinates	7226398.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Methyl 5-(2-methoxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
Formula	C16 H15 N O5
Calculated formula	C16 H15 N O5
SMILES	O=C(c1c(cccc1)OC)c1cn(c(=O)c(c1)C(=O)OC)C
Title of publication	A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions
Authors of publication	Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	85
Pages of publication	82321
a	8.3195 ± 0.0004 Å
b	13.6469 ± 0.0006 Å
c	12.8427 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1458.1 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0769
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
186083 (current)	2016-08-31	cif/ Adding structures of 7226398 via cif-deposit CGI script.	7226398.cif