Crystallography Open Database

Information card for entry 7064356

Preview

Coordinates	7064356.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N'-(2-trifluoroacetylcyclopent-1-enyl)benzohydrazide
Chemical name	bezoylhydrazone 2-trifluoroacetylsiklopentanone
Formula	C14 H13 F3 N2 O2
Calculated formula	C14 H13 F3 N2 O2
Title of publication	Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study
Authors of publication	Panova, Elizaveta V.; Ganiev, Bakhtiyor Sh.; Avezov, Kuvondik G.; Umarov, Bako B.; Voronina, Julia K.; Safin, Damir A.
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	17
Pages of publication	7490 - 7504
a	9.3763 ± 0.0006 Å
b	11.8162 ± 0.0007 Å
c	13.2214 ± 0.0009 Å
α	97.863 ± 0.005°
β	105.578 ± 0.006°
γ	97.842 ± 0.005°
Cell volume	1374.54 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1134
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306457 (current)	2026-06-05	cif/ Updating files of 7064356 Original log message: Adding full bibliography for 7064356.cif.	7064356.cif
305220	2026-03-31	cif/ Adding structures of 7064356 via cif-deposit CGI script.	7064356.cif