Crystallography Open Database

Information card for entry 2311549

Preview

Coordinates	2311549.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-{2-[2-(2-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide
Formula	C16 H16 Cl N3 O3 S
Calculated formula	C16 H16 Cl N3 O3 S
SMILES	c1(ccc(cc1)C)S(=O)(=O)NCC(=O)N/N=C/c1c(cccc1)Cl
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	7.867 ± 0.001 Å
b	10.34 ± 0.001 Å
c	10.997 ± 0.002 Å
α	84.96 ± 0.01°
β	75.46 ± 0.01°
γ	81.13 ± 0.01°
Cell volume	854.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.293
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.	2311549.cif