Crystallography Open Database

Information card for entry 8107484

Preview

Coordinates	8107484.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Z)-3-(1-(2-(E)-4-isopropylbenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione
Chemical name	(Z)-3-(1-(2-(E)-4-isopropylbenzylidene)hydrazinyl)ethylidene)chroman-2,4-dione
Formula	C21 H20 N2 O3
Calculated formula	C21 H20 N2 O3
Title of publication	The crystal structure of (Z)-3-(1-(2-((E)-4-isopropylbenzylidene)hydrazinyl)ethylidene) chroman-2,4-dione, C21H20N2O3
Authors of publication	Dekić, Vidoslav S.; Dekić, Biljana R.; Sejmanović, Dragana M.; Janićević, Suzana; Krüger, Biljana; Kahlenberg, Volker; Rodić, Marko V.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	3
Pages of publication	521 - 524
a	6.8892 ± 0.0003 Å
b	21.8269 ± 0.0013 Å
c	35.1144 ± 0.0019 Å
α	90°
β	90.344 ± 0.005°
γ	90°
Cell volume	5280.1 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
285243 (current)	2023-07-17	cif/ Adding structures of 8107484 via cif-deposit CGI script.	8107484.cif