Crystallography Open Database

Information card for entry 2311326

Preview

Coordinates	2311326.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-(2,3-Dimethylanilino)-<i>N</i>'-[(1<i>E</i>)-2-hydroxybenzylidene]benzohydrazide
Formula	C22 H21 N3 O2
Calculated formula	C22 H21 N3 O2
SMILES	Oc1c(cccc1)/C=N/NC(=O)c1ccccc1Nc1c(c(ccc1)C)C
Title of publication	Crystal structure of 2-(2,3-di-methyl-anilino)-N'-[(1E)-2-hy-droxy-benzyl-idene]benzohydrazide.
Authors of publication	Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Mohamed, Alaa F.; Albayati, Mustafa R.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 12
Pages of publication	o957 - 8
a	10.8056 ± 0.0008 Å
b	14.7141 ± 0.0012 Å
c	23.0408 ± 0.0018 Å
α	90°
β	96.181 ± 0.001°
γ	90°
Cell volume	3642.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0743
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
245796 (current)	2019-12-25	cif/ Adding structures of 2311326 via cif-deposit CGI script.	2311326.cif