Crystallography Open Database

Information card for entry 2243839

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Structure parameters

Chemical name	(<i>E</i>)-2-{[(<i>E</i>)-2-Hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one
Formula	C22 H18 N2 O2
Calculated formula	C22 H18 N2 O2
SMILES	N(/N=C(/c1ccccc1)C(=O)c1ccccc1)=C\c1cc(ccc1O)C
Title of publication	Crystal structure and molecular docking study of (<i>E</i>)-2-{[(<i>E</i>)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one
Authors of publication	Kansiz, Sevgi; Tatlidil, Digdem; Dege, Necmi; Aktas, Feyzi Alkim; Al-Asbahy, Samir Osman Mohammed; Alaman Agar, Aysen
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	6
Pages of publication	658 - 662
a	7.4089 ± 0.0006 Å
b	11.4544 ± 0.0014 Å
c	21.9491 ± 0.0017 Å
α	90°
β	97.814 ± 0.006°
γ	90°
Cell volume	1845.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.13
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2593
Weighted residual factors for all reflections included in the refinement	0.2869
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
265608 (current)	2021-05-29	cif/ hkl/ Adding structures of 2243839 via cif-deposit CGI script.	2243839.cif 2243839.hkl