Crystallography Open Database

Information card for entry 2311550

Preview

Coordinates	2311550.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-{2-[2-(2-Methylbenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
Formula	C17 H19 N3 O3 S
Calculated formula	C17 H19 N3 O3 S
SMILES	c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1c(cccc1)C
Title of publication	Crystal structures of three <i>ortho</i>-substituted <i>N</i>-acyl-hydrazone derivatives.
Authors of publication	Purandara, H.; Foro, Sabine; Thimme Gowda, B.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1946 - 1951
a	7.984 ± 0.001 Å
b	10.32 ± 0.002 Å
c	11.081 ± 0.002 Å
α	85.17 ± 0.01°
β	74.89 ± 0.01°
γ	81.14 ± 0.01°
Cell volume	870 ± 0.3 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	0.0941
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
245974 (current)	2019-12-25	cif/ Adding structures of 2311549, 2311550, 2311551 via cif-deposit CGI script.	2311550.cif