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In the 1:1 acetonitrile solvate of 1,3,2-benzodithiazole-1,1,3,3-tetrone, C6H5NO4S2.C2H3N, the nitrile molecule is linked to the NH function by a slightly bent N—H...N hydrogen bond of medium strength [H...N 1.99 (3) and N...N 2.834 (3) Å]. One methyl H atom forms a three-centre C—H...O bond to different symmetry-related formula units. The five-membered heterocycle possesses an envelope conformation, the N atom deviating by 0.358 (2) Å from the mean plane of the C6S2 moiety.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks dino, global

fcf

Structure factor file (CIF format)
Contains datablock dino

CCDC reference: 129437

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