Crystallography Open Database

Information card for entry 2311236

Preview

Coordinates	2311236.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>-(2-{<i>N</i>'-[(1<i>E</i>)-2-Hydroxybenzylidene]hydrazinecarbonyl}phenyl)benzamide
Formula	C21 H17 N3 O3
Calculated formula	C21 H17 N3 O3
SMILES	O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccccc1
Title of publication	A new polymorph of N-(2-{N'-[(1E)-2-hy-droxy-benzyl-idene]hydrazinecarbon-yl}phen-yl)benzamide.
Authors of publication	Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2014
Journal volume	70
Journal issue	Pt 6
Pages of publication	o645 - 6
a	26.7145 ± 0.0014 Å
b	26.7145 ± 0.0014 Å
c	10.116 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7219.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
245709 (current)	2019-12-25	cif/ Adding structures of 2311236 via cif-deposit CGI script.	2311236.cif