Crystallography Open Database

Information card for entry 7245720

Preview

Coordinates	7245720.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,4-dimethoxy-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one
Formula	C22 H25 N3 O4
Calculated formula	C21.999 H24.997 N3 O3.999
Title of publication	Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones
Authors of publication	Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	47
Pages of publication	30404 - 30415
a	17.3963 ± 0.0006 Å
b	22.485 ± 0.001 Å
c	14.0877 ± 0.0009 Å
α	90°
β	127.746 ± 0.0013°
γ	90°
Cell volume	4357.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278793 (current)	2022-10-26	cif/ Adding structures of 7245719, 7245720 via cif-deposit CGI script.	7245720.cif