Crystallography Open Database

Information card for entry 2240795

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Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>-{2-[2-(4-Methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide
Formula	C17 H19 N3 O3 S
Calculated formula	C17 H19 N3 O3 S
SMILES	S(=O)(=O)(NCC(=O)N/N=C/c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Crystal structure of (<i>E</i>)-<i>N</i>-{2-[2-(4-methylbenzylidene)hydrazin-1-yl]-2-oxoethyl}-<i>p</i>-toluenesulfonamide
Authors of publication	Purandara, H.; Foro, Sabine; Gowda, B. Thimme
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	730 - 733
a	11.2595 ± 0.0007 Å
b	11.2697 ± 0.0009 Å
c	14.538 ± 0.001 Å
α	70.562 ± 0.006°
β	87.33 ± 0.007°
γ	82.262 ± 0.006°
Cell volume	1723.8 ± 0.2 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	0.0679
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181907 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07	2240795.cif 2240795.hkl
137556	2015-05-30	cif/ hkl/ Adding structures of 2240795 via cif-deposit CGI script.	2240795.cif 2240795.hkl