Crystallography Open Database

Information card for entry 2242399

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Structure parameters

Chemical name	(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Formula	C18 H20 Cl N5 O6 S
Calculated formula	C18 H20 Cl N5 O6 S
SMILES	Clc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(N(=O)=O)cc2)cc1.O=CN(C)C
Title of publication	Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Authors of publication	Purandara, H.; Foro, S.; Thimme Gowda, B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	3
Pages of publication	394 - 399
a	8.24 ± 0.001 Å
b	10.631 ± 0.001 Å
c	13.72 ± 0.002 Å
α	108.15 ± 0.01°
β	98.36 ± 0.01°
γ	105.07 ± 0.01°
Cell volume	1068.7 ± 0.3 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	0.1402
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.319
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
206649 (current)	2018-02-24	cif/ hkl/ Adding structures of 2242399 via cif-deposit CGI script.	2242399.cif 2242399.hkl