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2-Chloro­ethyl ethyl sulfide: a mustard gas analogue

✍ Scribed by Zawadski, Alexander ;Parsons, Simon


Book ID
104481421
Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
171 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis


2-Chloroethyl ethyl sul®de (Cl±CH 2 ±CH 2 ±S±CH 2 ±CH 3 or C 4 H 9 ClS) is used as an analogue for mustard gas in biomedical studies. The ClÐCÐCÐS and the two CÐCÐSÐC torsion angles are À177.38 (9), 83.17 ( 14) and 73.81 ( 16) , respectively, and are similar to values that have been predicted, by ab initio quantum calculations, for the corresponding parameters in mustard gas. There are no strong intermolecular interactions, and the packing in the crystal structure bears some resemblance to hexagonal close packing.


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