Crystallography Open Database

Information card for entry 2311992

2311991 << 2311992 >> 2311993

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Structure parameters

Common name	(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone
Chemical name	(<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone
Formula	C22 H18 N2 O2
Calculated formula	C22 H18 N2 O2
Title of publication	Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.
Authors of publication	Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2018
Journal volume	74
Journal issue	Pt 9
Pages of publication	1058 - 1067
a	10.2458 ± 0.0004 Å
b	8.007 ± 0.0002 Å
c	23.3695 ± 0.0008 Å
α	90°
β	102.461 ± 0.003°
γ	90°
Cell volume	1872.03 ± 0.11 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0946
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311992.cif
246232	2019-12-27	cif/ Adding structures of 2311991, 2311992 via cif-deposit CGI script.	2311992.cif