Crystallography Open Database

Information card for entry 7227991

Preview

Coordinates	7227991.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-methyl-2-(methylamino)-3-nitro-1H-chromeno[2,3-b]pyridin-5(10aH)-one
Formula	C14 H13 N3 O4
Calculated formula	C14 H13 N3 O4
SMILES	C12=CC(=C(NC)N(C)C1Oc1ccccc1C2=O)N(=O)=O
Title of publication	An efficient and eco-friendly synthesis of 2-pyridones and functionalized azaxanthone frameworks via indium triflate catalyzed domino reaction
Authors of publication	Ramakrishna, Seeram; nataraj, poomathi; Perumal, Paramasivan Thirumalai
Journal of publication	Green Chem.
Year of publication	2017
a	24.0182 ± 0.0013 Å
b	26.8445 ± 0.0014 Å
c	7.914 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5102.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
194735 (current)	2017-04-04	cif/ Adding structures of 7227991, 7227992 via cif-deposit CGI script.	7227991.cif