Crystallography Open Database

Information card for entry 7159283

Preview

Coordinates	7159283.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(3-methyl-4-nitroso-5-phenyl-1H-pyrazol-1-yl)quinoxalin-2-ol
Formula	C18 H13 N5 O2
Calculated formula	C18 H13 N5 O2
Title of publication	Regioselective synthesis of novel nitroso-pyrazolylquinoxalines <i>via</i> HOAc-mediated cyclocondensation of 2-hydroxyimino-1,3-diketones with hydrazinylquinoxalines.
Authors of publication	Bobrov, Pavel S.; Kirik, Sergei D.; Peterson, Ivan V.; Suboch, Georgii A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	17
Pages of publication	3604 - 3614
a	15.7306 ± 0.0009 Å
b	14.9839 ± 0.0008 Å
c	7.2686 ± 0.0005 Å
α	90°
β	111.748 ± 0.008°
γ	90°
Cell volume	1591.31 ± 0.19 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor R(I) for significantly intense reflections	7.6
Goodness-of-fit parameter for all reflections	2.02
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283436 (current)	2023-05-05	cif/ Updating files of 7159283 Original log message: Adding full bibliography for 7159283.cif.	7159283.cif
282557	2023-04-11	cif/ Adding structures of 7159283 via cif-deposit CGI script.	7159283.cif