Crystallography Open Database

Information card for entry 2238985

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)
Formula	C4 H12 N2 O4 S2
Calculated formula	C4 H12 N2 O4 S2
SMILES	CS(=O)(=O)NCCNS(=O)(=O)C
Title of publication	<i>N</i>,<i>N</i>'-(Ethane-1,2-diyl)bis(methanesulfonamide)
Authors of publication	Chan, Wesley Ting Kwok; Kung, Ka Yan Karen; Wong, Man-kin
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o152
a	10.5668 ± 0.0011 Å
b	5.6092 ± 0.0006 Å
c	8.5141 ± 0.0009 Å
α	90°
β	109.79 ± 0.006°
γ	90°
Cell volume	474.84 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0338
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
181889 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89.	2238985.cif 2238985.hkl
181308	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89.	2238985.cif 2238985.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238985.cif 2238985.hkl
104817	2014-03-11	cif/ hkl/ Adding structures of 2238985 via cif-deposit CGI script.	2238985.cif 2238985.hkl