Crystallography Open Database

Information card for entry 7216780

Preview

Coordinates	7216780.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)- 7-(trifluoromethyl)quinoline
Formula	C23 H20 F3 N5 O
Calculated formula	C23 H20 F3 N5 O
SMILES	FC(F)(F)c1ccc2c(N3CCN(CC3)C)c(cnc2c1)c1oc(nn1)c1ccccc1
Title of publication	Synthesis, characterization and antimicrobial studies of some new trifluoromethyl quinoline-3-carbohydrazide and 1,3,4-oxadiazoles
Authors of publication	Isloor, Arun M.; achar, Garuda; Kulal, Ananda; Fun, Hoong Kun; N, Satyanarayan M
Journal of publication	RSC Advances
Year of publication	2014
a	8.5065 ± 0.0015 Å
b	10.2176 ± 0.0017 Å
c	13.709 ± 0.003 Å
α	103.84 ± 0.005°
β	98.515 ± 0.005°
γ	109.034 ± 0.004°
Cell volume	1060 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180498 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67.	7216780.cif
118169	2014-06-26	cif/ Adding structures of 7216780 via cif-deposit CGI script.	7216780.cif