CSD Entry RESHAY

Hydrogens Bond types Disorder

Packing Options None Unit Cell 3x3x3

C₆ H₁₀ S₂

Space Group: P 2₁/n

a 5.3456(12) b 13.940(3) c 10.8447(10)

α 90 β 96.152(13) γ 90

R-Factor: 4.98%

Temperature (K): 143

Identifier	RESHAY
Source Database	as531be
Reliability Score	Explain score
Author(s)	B.Bartkowska, C.Kruger
Reference	Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. (1997), 53, 1064, doi:10.1107/S0108270197004368
Formula	C₆ H₁₀ S₂
Compound	bis(2-Propenyl)disulfide
Synonym	Diallyldisulfide
Space Group	P 2₁/n
Cell Lengths	a 5.3456(12) b 13.940(3) c 10.8447(10)
Cell Angles	α 90 β 96.152(13) γ 90
Cell Volume	803.468
Z, Z'	Z: 4 Z': 1
R-Factor (%)	4.98
SMILES	C=CCSSCC=C
Reduced Cell Lengths	a 5.3456 b 10.8447 c 13.94
Reduced Cell Angles	α 90 β 90 γ 96.152
Reduced Cell Volume	803.468
Temperature (K)	143
Density (CCDC)	1.209
Average Sigma (C-C)	0 <= sigma <= 0.005
Radiation Probe	x-ray
Melting Point	220 K
Deposition Numbers	IUCR Coeditor Code: IUCr AV1003
CCDC Number	CCDC 128933
Experiment Type	single crystal
Colour	colorless

Select WebCSD Viewer
Viewer Size
Background Colour

Antialias Display (disable if rendering too slow)

Automatically display large diagram for selected entry

Please check the WebCSD FAQs for an answer to your question.

Please visit the Jmol Wiki for further information about Jmol.

Added to CSD: 2nd October 1997; Last modified: 15th October 2012; Published in WebCSD: 23rd October 2012 15:43:09