Crystallography Open Database

Information card for entry 2020203

2020202 << 2020203 >> 2020204

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Structure parameters

Chemical name	1,1'-({[(ethane-1,2-diyl)dioxy](1,2- phenylene)}bis(methanylylidene))bis(thiosemicarbazide) bis(N,N-dimethylformamide) solvate
Formula	C24 H34 N8 O4 S2
Calculated formula	C24 H34 N8 O4 S2
Title of publication	The interplay of solvation, molecular conformation and supramolecular assembly in 1,1'-({[(ethane-1,2-diyl)dioxy](1,2-phenylene)}bis(methanylylidene))bis(thiosemicarbazide) and its <i>N</i>,<i>N</i>-dimethylformamide disolvate
Authors of publication	Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Mague, Joel T.; Akkurt, Mehmet; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	11
a	11.6081 ± 0.0016 Å
b	18.136 ± 0.003 Å
c	14.186 ± 0.002 Å
α	90°
β	101.801 ± 0.002°
γ	90°
Cell volume	2923.4 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181872 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02	2020203.cif 2020203.hkl
167920	2015-10-14	cif/ hkl/ Adding structures of 2020202, 2020203 via cif-deposit CGI script.	2020203.cif 2020203.hkl