Crystallography Open Database

Information card for entry 2240361

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)ethanedithioamide
Formula	C32 H32 N4 S4
Calculated formula	C32 H32 N4 S4
Title of publication	Crystal structure of <i>N</i>,<i>N</i>'-bis(4-methylphenyl)dithiooxamide
Authors of publication	Giannetto, Antonino; Lanza, Santo; Bruno, Giuseppe; Nicoló, Francesco; Amiri Rudbari, Hadi
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	2
Pages of publication	o67
a	33.9423 ± 0.0007 Å
b	11.388 ± 0.0002 Å
c	7.8049 ± 0.0002 Å
α	90°
β	99.439 ± 0.001°
γ	90°
Cell volume	2976.02 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
181903 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03	2240361.cif 2240361.hkl
181323	2016-04-03	hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03.	2240361.cif 2240361.hkl
176809	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240361.cif 2240361.hkl
129353	2015-01-04	cif/ hkl/ Adding structures of 2240361 via cif-deposit CGI script.	2240361.cif 2240361.hkl