Crystallography Open Database

Information card for entry 7160430

Preview

Coordinates	7160430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cl N2 O2
Calculated formula	C22 H19 Cl N2 O2
Title of publication	IMDAV Reaction between 3-(Isoxazol-3-yl)allylamines and Maleic Anhydrides. Unusual Approach to Pyrrolo[3,4-c]pyridine Derivatives, Possessing Anti-Inflammatory Activity
Authors of publication	Zaytsev, Vladimir P.; Simakova, Daria; Maslova, Viktoria; Ilyushenkova, Valentina; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Iryna A.; Potkin, Vladimir I.; Zubkov, Fedor Ivanovich
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	40.8182 ± 0.0017 Å
b	6.3454 ± 0.0003 Å
c	14.8844 ± 0.0006 Å
α	90°
β	108.25 ± 0.002°
γ	90°
Cell volume	3661.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.162
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1902
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
298535 (current)	2025-03-20	cif/ Adding structures of 7160429, 7160430, 7160431, 7160432, 7160433 via cif-deposit CGI script.	7160430.cif