Crystallography Open Database

Information card for entry 7056456

Preview

Coordinates	7056456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 F2 N3 O2
Calculated formula	C23 H15 F2 N3 O2
SMILES	Fc1cc(c2nc3ccccc3c(c2)C(=O)N/N=C/c2ccc(O)cc2)cc(F)c1
Title of publication	Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles
Authors of publication	Bharadwaj, S. Shashidhar; Poojary, Boja; Madan Kumar, S.; Byrappa, K.; Nagananda, Govinahalli Shivashankara; Chaitanya, Amajala Krishna; Zaveri, Kunal; Yarla, Nagendra Sastry; Shiralgi, Yallappa; Kudva, Avinash K.; Dhananjaya, B. L.
Journal of publication	New J. Chem.
Year of publication	2017
a	13.178 ± 0.007 Å
b	9.598 ± 0.005 Å
c	28.58 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	3615 ± 3 Å³
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1263
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
198911 (current)	2017-07-22	cif/ Adding structures of 7056456 via cif-deposit CGI script.	7056456.cif