Crystallography Open Database

Information card for entry 7236044

Preview

Coordinates	7236044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 F3 N5 O
Calculated formula	C19 H17 F3 N5 O
Title of publication	Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
Authors of publication	Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	36
Pages of publication	30056
a	11.0546 ± 0.0015 Å
b	19.664 ± 0.003 Å
c	17.9966 ± 0.0016 Å
α	90°
β	105.746 ± 0.01°
γ	90°
Cell volume	3765.3 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1291
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
233861 (current)	2019-11-23	cif/ Adding structures of 7236043, 7236044 via cif-deposit CGI script.	7236044.cif